Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 12/20 | 0.46 |
| ▸ | ACACA | Q13085 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1501655 | 0.95 | ACACB (0.43) | ACACBACACAKMT2AHDAC3HDAC4 | |
| SCHEMBL826743 | 0.94 | ACACB (0.48) | ACACBACACAKMT2AHDAC3HDAC4 | |
| SCHEMBL827425 | 0.92 | ACACB (0.45) | ACACBACACAKMT2AHDAC3HDAC4 | |
| SCHEMBL15603159 | 0.90 | ACACB (0.44) | ACACBACACAKMT2AHDAC3HDAC4 | |
| SCHEMBL1501565 | 0.90 | ACACB (0.46) | ACACBACACAKMT2AHDAC3HDAC4 | |
| SCHEMBL731640 | 0.89 | ACACB (0.49) | ACACBACACAKMT2AHDAC3HDAC4 | |
| SCHEMBL1501584 | 0.88 | HDAC3 (0.43) | ACACBACACAKMT2AHDAC3HDAC4 | |
| SCHEMBL732671 | 0.87 | ACACB (0.49) | ACACBACACA | |
| SCHEMBL15152878 | 0.87 | ACACB (0.47) | ACACBACACAKMT2AHDAC3HDAC4 | |
| SCHEMBL15603133 | 0.87 | ACACB (0.42) | ACACBACACAKMT2AHDAC3HDAC4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2307422-B1 | NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS | MSD KK (JP) | 2014-03-26 | — | — | EP | claimed |
| US-8524730-B2 | Spirochromanone carboxylic acids | MSD K.K. (JP) | 2013-09-03 | — | — | US | claimed |
| US-20110077262-A1 | NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS | MSD K.K. (JP) | 2011-03-31 | — | — | US | claimed |
| EP-2676961-B1 | Combination drugs comprising aminotetrahydropyrans as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes | MERCK SHARP & DOHME (US) | 2017-04-19 | — | — | EP | disclosed |
| EP-2676960-B1 | Combination drugs comprising aminotetrahydropyrans as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes | MERCK SHARP & DOHME (US) | 2017-04-19 | — | — | EP | disclosed |
| EP-2571876-B1 | SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES | MERCK SHARP & DOHME (US) | 2016-09-07 | — | — | EP | disclosed |
| EP-2680851-B1 | FUSED BICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS | MERCK SHARP & DOHME (US) | 2016-08-17 | — | — | EP | disclosed |
| US-9403790-B2 | Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes | MERCK SHARP & DOHME CORP. (US) | 2016-08-02 | — | — | US | disclosed |
| EP-2538783-B1 | SUBSTITUTED AMINOTETRAHYDROTHIOPYRANS AND DERIVATIVES THEREOF AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES | MERCK SHARP & DOHME (US) | 2016-06-01 | — | — | EP | disclosed |
| US-20160137622-A1 | AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK SHARP & DOHME LLC | 2016-05-19 | — | — | US | disclosed |
| US-9278976-B2 | Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment of diabetes | MERCK SHARP & DOHME CORP. (US) | 2016-03-08 | — | — | US | disclosed |
| US-20120010186-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2012-01-12 | — | — | US | disclosed |
| US-20110301143-A1 | HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK CANADA INC. (CA) | 2011-12-08 | — | — | US | disclosed |
| US-20110183958-A1 | AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. | 2011-07-28 | — | — | US | disclosed |
| US-20110166152-A1 | HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2011-07-07 | — | — | US | disclosed |
| US-20110152295-A1 | HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2011-06-23 | — | — | US | disclosed |
| US-20110077262-A1 | NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS | MSD K.K. (JP) | 2011-03-31 | — | — | US | disclosed |
| WO-2011037793-A1 | SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES | MERCK SHARP & DOHME CORP. (US) | 2011-03-31 | — | — | WO | disclosed |
| WO-2011028455-A1 | AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK SHARP & DOHME CORP. (US) | 2011-03-10 | — | — | WO | disclosed |
| US-20100120863-A1 | AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK SHARP & DOHME LLC | 2010-05-13 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100120863-A1 | AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | DPP4, DPP3, DPP7 | ACACB 641/4885ACACA 470/4885KMT2A 3176/4885 |
| US-20110166152-A1 | HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | SCD, SCD5, CPT1A | ACACB 22/4885ACACA 15/4885KMT2A 2637/4885 |
| US-20110077262-A1 | NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS | CNKSR1, CBR1, CBR3 | ACACB 57/4885ACACA 16/4885KMT2A 3775/4885 |
| US-20110183958-A1 | AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | SCD, SCD5, FADS2 | ACACB 65/4885ACACA 24/4885KMT2A 3134/4885 |
| US-20120010186-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | SCD, SCD5, FASN | ACACB 19/4885ACACA 12/4885KMT2A 3367/4885 |
| US-20110301143-A1 | HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | SCD, SCD5, COASY | ACACB 101/4885ACACA 76/4885KMT2A 3000/4885 |
| US-20110152295-A1 | HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | SCD, SCD5, SREBF1 | ACACB 37/4885ACACA 15/4885KMT2A 3586/4885 |
| US-20160137622-A1 | AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | DPP4, DPP3, DPP7 | ACACB 641/4885ACACA 470/4885KMT2A 3176/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.