SCHEMBL4009744

SCHEMBL4009744

COc1ccc2c(n1)CCNCC2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
HTR2C P28335 15/20 0.42
HTR2B P41595 9/20 0.42
HTR2A P28223 6/20 0.42
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR3A P46098 1/20 0.38
HTR6 P50406 1/20 0.38
DRD1 P21728 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL29730608 1.00 DRD2 (0.43) DRD2DRD3HTR2CHTR2BHTR2A
SCHEMBL4774263 0.88 DRD2 (0.43) DRD2DRD3HTR2CHTR2BHTR2A
SCHEMBL21326114 0.88 HTR2C (0.42) DRD2DRD3HTR2CHTR2BHTR2A
SCHEMBL4181488 0.79 NPC1 (0.47) DRD2DRD3HTR2CHTR2BHTR2A
SCHEMBL4170720 0.79 DRD2 (0.47) DRD2DRD3HTR2CHTR2BHTR2A
SCHEMBL29222780 0.78 PNMT (0.38) DRD2DRD3HTR2CHTR2BHTR2A
SCHEMBL29730654 0.76 HTR2C (0.45) HTR2CHTR2BHTR2ACHRM4CHRM5
SCHEMBL4207588 0.76 HTR2C (0.45) HTR2CHTR2BHTR2ACHRM4CHRM5
SCHEMBL719733 0.75 HTR2C (0.42) DRD2HTR2CHTR2BHTR2AHTR6
SCHEMBL22892323 0.74 DRD3 (0.41) DRD2DRD3HTR2CHTR2BHTR2A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US claimed
WO-2008009125-A9 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS NPS ALLELIX CORP (CA) 2008-07-24 WO claimed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
CN-115611925-A HPK1 inhibitors and uses thereof 轩竹生物科技股份有限公司 2023-01-17 CN disclosed
US-20220380358-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-12-01 US disclosed
US-11390623-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands PFIZER INC. (US) 2022-07-19 US disclosed
EP-3402796-B1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS PFIZER (US) 2020-11-18 EP disclosed
US-20200157098-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS PFIZER (US) 2020-05-21 US disclosed
US-20200157098-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS PFIZER (US) 2020-05-21 US disclosed
US-20130261105-A1 NOVEL PYRAZOLOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 US disclosed
WO-2013144172-A1 NOVEL PYRAZOLOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 WO disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 WO disclosed
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 WO disclosed
WO-2008009125-A9 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS NPS ALLELIX CORP (CA) 2008-07-24 WO disclosed
WO-2008009125-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2008-01-24 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 (6 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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS HTR2C, HTR2A, HTR5A DRD2 57/4885DRD3 162/4885HTR2C 1/4885
US-11390623-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands DRD3, DRD2, DRD4 DRD2 2/4885DRD3 1/4885HTR2C 18/4885
US-20130261105-A1 NOVEL PYRAZOLOPYRIMIDINES GRM5, GRIK5, GRM2 DRD2 542/4885DRD3 982/4885HTR2C 94/4885
US-20200157098-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS DRD3, DRD2, DRD4 DRD2 2/4885DRD3 1/4885HTR2C 18/4885
US-20220380358-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS BACE1, BACE2, BCHE DRD2 1589/4885DRD3 1089/4885HTR2C 1020/4885
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors BACE1, BACE2, BCHE DRD2 1589/4885DRD3 1089/4885HTR2C 1020/4885

“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.