SCHEMBL6484835

SCHEMBL6484835

O=C(O)N1CCc2c(n(CCOc3ccccc3)c3c(Cl)cc(Cl)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.41
PTGDR Q13258 2/20 0.41
PTGER2 P43116 1/20 0.40
KDM4E B2RXH2 3/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
BAZ2B Q9UIF8 1/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL6932621 0.99 KCNA5 (0.41) KCNA5MEN1KMT2APTGDR2PTGDR
SCHEMBL6932620 0.98 KCNA5 (0.40) KCNA5MEN1KMT2APTGDR2PTGDR
SCHEMBL6474985 0.88 HDAC1 (0.40) KCNA5MEN1KMT2APTGDR2PTGDR
SCHEMBL6474248 0.86 KCNA5 (0.43) KCNA5MEN1KMT2APTGDR2KDM4E
SCHEMBL6481275 0.85 AKR1B10 (0.43) KCNA5MEN1KMT2APTGDR2KDM4E
SCHEMBL6782309 0.84 AKR1B10 (0.42) KCNA5MEN1KMT2APTGDR2KDM4E
SCHEMBL6475974 0.84 KCNA5 (0.43) KCNA5MEN1KMT2APTGDR2KDM4E
SCHEMBL6782305 0.83 AKR1B10 (0.41) KCNA5MEN1KMT2APTGDR2KDM4E
SCHEMBL6474170 0.83 PTGDR2 (0.41) PTGDR2PTGDRPTGER2HDAC1HDAC6
SCHEMBL6474551 0.82 KCNA5 (0.43) KCNA5MEN1KMT2APTGDR2KDM4E

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

“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.