SCHEMBL6475174

SCHEMBL6475174

O=C(O)N1CCc2c(n(CCOc3ccc(Cl)cc3)c3ccccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.50
KCNA5 P22460 2/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.45
CYP2C9 P11712 1/20 0.43
TP53 P04637 1/20 0.43
ENPP2 Q13822 1/20 0.43
BAZ2B Q9UIF8 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6473923 0.87 BAZ2B (0.44) HTR5AKCNA5ALDH1A1KDM4EMEN1
SCHEMBL6480915 0.86 HDAC1 (0.51) HTR5AKCNA5MEN1KMT2APTGDR2
SCHEMBL6475974 0.83 KCNA5 (0.43) HTR5AKCNA5ALDH1A1KDM4EMEN1
SCHEMBL7227263 0.83 PKM (0.49) HTR5AALDH1A1KDM4EKMT2APTGDR2
SCHEMBL6483019 0.82 KCNA5 (0.42) HTR5AKCNA5ALDH1A1KDM4EMEN1
SCHEMBL4796212 0.82 CA1 (0.56) HTR5AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6481275 0.80 AKR1B10 (0.43) HTR5AKCNA5ALDH1A1KDM4EMEN1
SCHEMBL6480591 0.80 KDM4E (0.55) ALDH1A1KDM4EMEN1KMT2APTGDR2
SCHEMBL6782309 0.80 AKR1B10 (0.42) HTR5AKCNA5ALDH1A1KDM4EMEN1
SCHEMBL6484835 0.80 KCNA5 (0.41) KCNA5ALDH1A1KDM4EMEN1KMT2A

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 10 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
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

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 HTR5A 1/4885KCNA5 497/4885ALDH1A1 610/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HTR5A 1/4885KCNA5 438/4885ALDH1A1 734/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HTR5A 1/4885KCNA5 497/4885ALDH1A1 610/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HTR5A 1/4885KCNA5 438/4885ALDH1A1 734/4885

“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.