SCHEMBL6475216

SCHEMBL6475216

[CH2]CCOc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
MAOB P27338 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LTA4H P09960 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPK1 P28482 1/20 0.44
APP P05067 1/20 0.44
LMNA P02545 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
TSHR P16473 1/20 0.42
CHRNA7 P36544 1/20 0.42
NOS1 P29475 1/20 0.42

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
SCHEMBL7070116 0.94 KDM4E (0.44) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL21590293 0.88 DRD4 (0.50) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL6557649 0.85 MAOB (0.57) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL11039418 0.85 ATM (0.50) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL18235025 0.82 DRD4 (0.57) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL17445905 0.82 ATM (0.60) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL1224848 0.80 APP (0.47) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL7898603 0.80 ATM (0.58) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL14031270 0.80 TSHR (0.58) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL17465617 0.80 ATM (0.58) KDM4EALDH1A1DRD4DRD2DRD3

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
CN-108084179-B Compound with spiro structure, preparation method and application thereof 上海医药工业研究院 2021-02-05 CN claimed
US-6903090-B2 Such as 10-(2-ethoxyphenyl)-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole; for treatment of anxiety, depression, schizophrenia, epilepsy, migraine, Alzheimers disease, sleep disorders, obesity, stress related diseases, and/or drug withdrawal PFIZER (US) 2005-06-07 US claimed
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US claimed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US claimed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US claimed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US claimed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US claimed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
CN-108084179-B Compound with spiro structure, preparation method and application thereof 上海医药工业研究院 2021-02-05 CN disclosed
US-20200255457-A1 PROCESS FOR THE REMOVAL AND RETURN OF A CATALYST TO A LIQUID PHASE MEDIUM PHOSPHONICS LTD (GB) 2020-08-13 US disclosed
US-10519173-B2 Process for the removal and return of a catalyst to a liquid phase medium PHOSPHONICS LTD (GB) 2019-12-31 US disclosed
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US disclosed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US disclosed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO disclosed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E KDM4E 1122/4885ALDH1A1 610/4885DRD4 90/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 KDM4E 927/4885ALDH1A1 734/4885DRD4 56/4885
US-10519173-B2 Process for the removal and return of a catalyst to a liquid phase medium GRB2, GFRA2, LIFR KDM4E 2755/4885ALDH1A1 3813/4885DRD4 883/4885
US-20200255457-A1 PROCESS FOR THE REMOVAL AND RETURN OF A CATALYST TO A LIQUID PHASE MEDIUM MSR1, NOC2L, GFRA2 KDM4E 2414/4885ALDH1A1 4022/4885DRD4 1027/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E KDM4E 1122/4885ALDH1A1 610/4885DRD4 90/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 KDM4E 927/4885ALDH1A1 734/4885DRD4 56/4885

“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.