SCHEMBL6475548

SCHEMBL6475548

O=C(Cn1c2c(c3cc(Cl)cc(Cl)c31)CCNCC2)Nc1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
DHODH Q02127 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
RAB9A P51151 2/20 0.43
ESR1 P03372 1/20 0.43
RECQL P46063 1/20 0.43
SLC27A1 Q6PCB7 1/20 0.42
NPC1 O15118 1/20 0.42
UBE2N P61088 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
SCHEMBL6481923 0.89 KMT2A (0.44) CSNK1DKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6475882 0.87 MEN1 (0.44) CSNK1DKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6474207 0.87 CSNK1D (0.46) CSNK1DDRD2DRD3DHODHKMT2A
SCHEMBL6474324 0.86 SLC27A1 (0.45) CSNK1DKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6479828 0.83 NPC1 (0.51) KMT2AMEN1RAB9ANPC1
SCHEMBL6475554 0.82 MEN1 (0.44) CSNK1DKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6481063 0.80 KDM4E (0.45) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL6474749 0.80 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL6484280 0.78 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL6481966 0.75 TSHR (0.42) KMT2AMEN1RAB9ARECQL

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 CSNK1D 688/4885DRD2 53/4885DRD3 135/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 CSNK1D 931/4885DRD2 46/4885DRD3 129/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E CSNK1D 688/4885DRD2 53/4885DRD3 135/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 CSNK1D 931/4885DRD2 46/4885DRD3 129/4885

“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.