SCHEMBL6483452

SCHEMBL6483452

[CH2]COc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.62
MAOA P21397 6/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 1/20 0.51
FKBP1A P62942 1/20 0.50
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL11040027 0.89 MAOB (0.62) MAOBMAOANPC1RAB9AFKBP1A
SCHEMBL74037 0.85 MAOB (0.68) MAOBMAOANPC1RAB9AMAPK1
SCHEMBL11045263 0.85 MAOB (0.54) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL107322 0.84 MAOB (0.83) MAOBMAOANPC1RAB9AMAPK1
SCHEMBL8112066 0.84 MAOB (0.66) MAOBMAOANPC1RAB9AMAPK1
SCHEMBL108114 0.82 MAOB (0.74) MAOBMAOANPC1RAB9AMAPK1
SCHEMBL28900631 0.82 MAOB (0.64) MAOBMAOANPC1RAB9AMAPK1
SCHEMBL11039281 0.81 MAOB (0.62) MAOBMAOANPC1RAB9AMAPK1
SCHEMBL6782574 0.81 MAOB (0.65) MAOBMAOANPC1RAB9AMAPK1
SCHEMBL984344 0.81 MAOB (0.62) MAOBMAOANPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6586421-B2 For therapy of central nervous system, including diseases, disorders, and conditions related to, such as anxiety, depression, hypertension, migraine, obesity, compulsive disorders, schizophrenia, autism, neurodegenerative disorders PHARMACIA & UPJOHN COMPANY 2003-07-01 US claimed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE 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
EP-0705816-B1 BENZENE DERIVATIVE USEFUL FOR ISCHEMIC DISEASES CHUGAI PHARMACEUTICAL CO LTD (JP) 2000-09-20 EP claimed
US-5998452-A CARDIOVASCULAR DISORDERS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-12-07 US claimed
EP-0705816-A1 BENZENE DERIVATIVE USEFUL FOR ISCHEMIC DISEASES Chugai Seiyaku Kabushiki Kaisha (JP) 1996-04-10 EP claimed
EP-0131509-A2 Photographic element containing a polymeric mordant comprising quaternized vinylimidazole and acrylonitrile recurring units EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-01-16 EP claimed
US-4450224-A CATIONIC IMIDAZOLE-CONTAINING VINYL POLYMERS FOR SILVER HALIDE COLOR FILMS EASTMAN KODAK COMPANY (US) 1984-05-22 US 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 disclosed
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 disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
US-4450224-A CATIONIC IMIDAZOLE-CONTAINING VINYL POLYMERS FOR SILVER HALIDE COLOR FILMS EASTMAN KODAK COMPANY (US) 1984-05-22 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 (4 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 MAOB 75/4885MAOA 86/4885NPC1 1345/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 MAOB 125/4885MAOA 157/4885NPC1 1176/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E MAOB 75/4885MAOA 86/4885NPC1 1345/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 MAOB 125/4885MAOA 157/4885NPC1 1176/4885

“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.