SCHEMBL6483019

SCHEMBL6483019

O=C(O)N1CCc2c(n(CCOc3ccc(Cl)cc3)c3ccc(Cl)c(Cl)c23)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HRH3 Q9Y5N1 7/20 0.41
BAZ2B Q9UIF8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
LTA4H P09960 1/20 0.39
PTGS2 P35354 1/20 0.39
DRD3 P35462 1/20 0.39
DRD2 P14416 1/20 0.39
HPGD P15428 2/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR5A P47898 1/20 0.38

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
SCHEMBL6474946 0.93 KCNA5 (0.43) KCNA5KMT2AMEN1ALDH1A1BAZ2B
SCHEMBL6482830 0.92 HTR5A (0.40) KCNA5KMT2AMEN1ALDH1A1HRH3
SCHEMBL6475345 0.87 MEN1 (0.40) KCNA5KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL6473923 0.84 BAZ2B (0.44) KCNA5KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL6474962 0.82 BAZ2B (0.40) BAZ2B
SCHEMBL6475174 0.82 HTR5A (0.50) KCNA5KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL6481275 0.82 AKR1B10 (0.43) KCNA5KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL6482902 0.81 HDAC1 (0.41) KCNA5KMT2AMEN1POLBHTR5A
SCHEMBL6782309 0.81 AKR1B10 (0.42) KCNA5KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL6782305 0.80 AKR1B10 (0.41) KCNA5KMT2AMEN1ALDH1A1L3MBTL1

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-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-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 KCNA5 497/4885KMT2A 2844/4885MEN1 852/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 KCNA5 438/4885KMT2A 2421/4885MEN1 959/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E KCNA5 497/4885KMT2A 2844/4885MEN1 852/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 KCNA5 438/4885KMT2A 2421/4885MEN1 959/4885

“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.