SCHEMBL6474447

SCHEMBL6474447

CC(C)(C)c1csc(NC(=O)Cn2c3c(c4c(Cl)cc(Cl)cc42)CCNCC3)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 4/20 0.47
POLB P06746 3/20 0.47
HPGD P15428 4/20 0.41
ALOX15 P16050 2/20 0.41
KMT2A Q03164 6/20 0.41
LMNA P02545 6/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ATAD2 Q6PL18 1/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
HTT P42858 2/20 0.37
FFAR2 O15552 1/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 2/20 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
SCHEMBL6475001 0.89 USP2 (0.45) ALDH1A1HSD17B10POLBALOX15KMT2A
SCHEMBL6474045 0.88 ALDH1A1 (0.47) ALDH1A1HSD17B10POLBHPGDALOX15
SCHEMBL6479775 0.87 ALDH1A1 (0.46) ALDH1A1HSD17B10POLBHPGDALOX15
SCHEMBL6484280 0.86 ALDH1A1 (0.43) ALDH1A1HSD17B10POLBHPGDALOX15
SCHEMBL6484813 0.85 ALDH1A1 (0.46) ALDH1A1HSD17B10POLBHPGDALOX15
SCHEMBL3235142 0.84 NPC1 (0.52) POLBHPGDKMT2AMEN1MAPT
SCHEMBL6474479 0.80 ALDH1A1 (0.47) ALDH1A1HSD17B10POLBHPGDALOX15
SCHEMBL6474598 0.80 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDKMT2ALMNA
SCHEMBL6474207 0.78 CSNK1D (0.46) ALDH1A1KMT2AMEN1RECQLKDM4E
SCHEMBL6475828 0.78 KCNJ6 (0.45) ALDH1A1POLBHPGDLMNAMAPT

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 ALDH1A1 610/4885HSD17B10 3460/4885POLB 4371/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 ALDH1A1 734/4885HSD17B10 3533/4885POLB 4160/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E ALDH1A1 610/4885HSD17B10 3460/4885POLB 4371/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 ALDH1A1 734/4885HSD17B10 3533/4885POLB 4160/4885

“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.