SCHEMBL6479775

SCHEMBL6479775

CC(C)(C)c1csc(NC(=O)Cn2c3c(c4cc(Cl)c(Cl)cc42)CCNCC3)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
POLB P06746 3/20 0.46
HPGD P15428 3/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 5/20 0.39
LMNA P02545 5/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ATAD2 Q6PL18 1/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
FFAR2 O15552 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6476134 0.88 KDM4E (0.45) ALDH1A1HSD17B10POLBALOX15SMN1; SMN2
SCHEMBL6484280 0.87 ALDH1A1 (0.43) ALDH1A1HSD17B10POLBHPGDALOX15
SCHEMBL6474447 0.87 ALDH1A1 (0.47) ALDH1A1HSD17B10POLBHPGDALOX15
SCHEMBL6474045 0.85 ALDH1A1 (0.47) ALDH1A1HSD17B10POLBHPGDALOX15
SCHEMBL6474479 0.84 ALDH1A1 (0.47) ALDH1A1HSD17B10POLBHPGDALOX15
SCHEMBL6482912 0.83 NPC1 (0.52) POLBHPGDSMN1; SMN2KMT2ALMNA
SCHEMBL6484813 0.82 ALDH1A1 (0.46) ALDH1A1HSD17B10POLBHPGDALOX15
SCHEMBL6482010 0.79 LMNA (0.41) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL6475882 0.77 MEN1 (0.44) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL6475551 0.77 KCNJ6 (0.45) POLBLMNAMAPTRECQL

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 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.