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 | |
|---|---|---|---|---|
| ▸ | XDH known ✓ | P47989 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | GALR1 | P47211 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10344177 | 0.81 | CYP11B1 (0.43) | CHRM2CHRM1CHRM3CYP11B1CYP11B2 | |
| SCHEMBL615338 | 0.79 | DRD1 (0.43) | DAOGAAMAPTALOX15HTT | |
| SCHEMBL1584430 | 0.79 | CYP11B1 (0.42) | CHRM2CHRM1CHRM3CYP11B1CYP11B2 | |
| SCHEMBL1584402 | 0.78 | EPHX2 (0.43) | GALR1PIM1PIM2GAAMAPT | |
| SCHEMBL20048749 | 0.78 | CHRM2 (0.40) | CHRM2CHRM1CHRM3CYP11B1CYP11B2 | |
| SCHEMBL1584063 | 0.77 | ACHE (0.45) | CHRM2CHRM1CHRM3ALDH1A1TSHR | |
| SCHEMBL10774703 | 0.74 | CA12 (0.30) | ALDH1A1 | |
| SCHEMBL3147185 | 0.74 | GPR3 (0.50) | CHRM2CHRM1CHRM3GALR1SLC22A12 | |
| Lithium Ion SCHEMBL7520480 | 0.73 | ACHE (0.45) | CHRM2CHRM1CHRM3ALDH1A1TSHR | |
| SCHEMBL1584194 | 0.73 | CES2 (0.44) | ALDH1A1MAPTTSHRHTTP2RX1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9067949-B2 | Benzofuro[3,2-c] pyridines and related analogs as serotonin sub-type 6 (5-HT6) modulators for the treatment of obesity, metabolic syndrome, cognition and schizophrenia | ALBANY MOLECULAR RESEARCH, INC. (US) | 2015-06-30 | — | — | US | disclosed |
| WO-2014028669-A1 | NOVEL COMPOUNDS FOR MODULATION OF ROR-GAMMA ACTIVITY | BIOGEN IDEC MA INC. (US) | 2014-02-20 | — | — | WO | disclosed |
| EP-2668191-A2 | BENZOFURO[3,2-C]PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA | Albany Molecular Research, Inc. (US) | 2013-12-04 | — | — | EP | disclosed |
| US-8575186-B2 | Epiminocycloalkyl[b] indole derivatives as serotonin sub-type 6 (5-HT6) modulators and uses thereof | ALBANY MOLECULAR RESEARCH, INC. (US) | 2013-11-05 | — | — | US | disclosed |
| WO-2012099952-A2 | BENZOFURO[3,2-C] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-07-26 | — | — | WO | disclosed |
| US-20120184531-A1 | BENZOFURO[3,2-c] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-07-19 | — | — | US | disclosed |
| US-20110112122-A1 | EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-05-12 | — | — | US | disclosed |
| WO-2011044134-A1 | EPIMINOCYCLOALKYL(B)INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-04-14 | — | — | WO | 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 (2 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-20110112122-A1 | EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF | HTR6, HTR3B, HTR1B | XDH 4181/4885CHRM2 81/4885CHRM1 206/4885 |
| US-20120184531-A1 | BENZOFURO[3,2-c] PYRIDINES AND RELATED ANALOGS AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS FOR THE TREATMENT OF OBESITY, METABOLIC SYNDROME, COGNITION AND SCHIZOPHRENIA | HTR6, HTR5A, HTR2C | XDH 973/4885CHRM2 114/4885CHRM1 81/4885 |
“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.