SCHEMBL826708

SCHEMBL826708

CCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cnn(C)c4)ccc2O3)cc(OCC)c1-c1ccc(C(=O)O)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.46
ACACA Q13085 2/20 0.46
SSTR5 P35346 1/20 0.43
KMT2A Q03164 1/20 0.41
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
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

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1501653 0.94 ACACB (0.46) ACACBACACAKMT2AHDAC3HDAC4
SCHEMBL1501578 0.94 ACACB (0.45) ACACBACACAKMT2AHDAC3HDAC4
SCHEMBL1501684 0.94 ACACB (0.45) ACACBACACAKMT2AHDAC3HDAC4
SCHEMBL742134 0.92 ACACB (0.47) ACACBACACAKMT2AHDAC3HDAC4
SCHEMBL15603204 0.92 ACACB (0.45) ACACBACACAKMT2AHDAC3HDAC4
SCHEMBL733120 0.92 ACACB (0.46) ACACBACACAKMT2AHDAC3HDAC4
SCHEMBL15603132 0.90 ACACB (0.45) ACACBACACAKMT2AHDAC3HDAC4
SCHEMBL826547 0.90 ACACB (0.51) ACACBACACAKMT2AHDAC3HDAC4
SCHEMBL730821 0.90 ACACB (0.49) ACACBACACASSTR5KMT2A
SCHEMBL1501688 0.90 ACACB (0.45) 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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110077262-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS MSD K.K. (JP) 2011-03-31 US disclosed
US-20110077262-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS MSD K.K. (JP) 2011-03-31 US 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.

PatentTitleText reads most aboutPredicted 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 470/4885SSTR5 522/4885
US-20110166152-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, CPT1A ACACB 22/4885ACACA 15/4885SSTR5 3753/4885
US-20110077262-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS CNKSR1, CBR1, CBR3 ACACB 57/4885ACACA 16/4885SSTR5 2255/4885
US-20110183958-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FADS2 ACACB 65/4885ACACA 24/4885SSTR5 1737/4885
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN ACACB 19/4885ACACA 12/4885SSTR5 3143/4885
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, COASY ACACB 101/4885ACACA 76/4885SSTR5 1792/4885
US-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 ACACB 37/4885ACACA 15/4885SSTR5 4297/4885
US-20160137622-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 ACACB 641/4885ACACA 470/4885SSTR5 522/4885

“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.