SCHEMBL6474097

SCHEMBL6474097

CCOc1ccccc1-c1cccc2[nH]c3c(c12)CCN(Cc1ccccc1)CC3

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.48
DRD4 P21917 2/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
ACACB O00763 1/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL6481489 0.84 ACHE (0.56) ACHEALDH1A1MEN1GAAKMT2A
SCHEMBL6473456 0.81 ACHE (0.53) ACHEMEN1GAAKMT2AATM
SCHEMBL6484816 0.79 ACHE (0.53) ACHEKDM4EALDH1A1TDP1MEN1
SCHEMBL6938987 0.79 HTR2A (0.46) KMT2A
SCHEMBL6474453 0.79 ACHE (0.53) ACHEMEN1GAAKMT2AATM
SCHEMBL6474774 0.78 ACHE (0.57) ACHEDRD4DRD2DRD3KMT2A
Hydrochloric Acid SCHEMBL6481729 0.78 HTR2A (0.45) KMT2A
SCHEMBL6480989 0.78 MEN1 (0.51) ACHEMEN1GAAKMT2AATM
SCHEMBL6474444 0.76 ACHE (0.57) ACHEMEN1GAAKMT2AATM
SCHEMBL6484098 0.76 ACHE (0.57) ACHEMEN1GAAKMT2AATM

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 12 patents. 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 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-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US disclosed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US disclosed
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 disclosed
US-6583135-B2 Treating central nervous system disorders wherein modulation of the activity of serotonin receptors (5-HT) is desired (e.g. anxiety, depression and obesity). PHARMACIA & UPJOHN COMPANY 2003-06-24 US disclosed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP 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 (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 ACHE 361/4885DRD4 90/4885DRD2 53/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 ACHE 398/4885DRD4 56/4885DRD2 46/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E ACHE 361/4885DRD4 90/4885DRD2 53/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 ACHE 398/4885DRD4 56/4885DRD2 46/4885

“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.