SCHEMBL6474027

SCHEMBL6474027

Cc1csc(NC(=O)Cn2c3c(c4c(Cl)ccc(Cl)c42)CCNCC3)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL6484813 0.88 ALDH1A1 (0.46) KDM4EALOX15HSD17B10NPC1RAB9A
SCHEMBL6480670 0.88 USP2 (0.45) KDM4EUSP2ALOX15HSD17B10NPC1
SCHEMBL6484143 0.87 NPC1 (0.45) KDM4EUSP2ALOX15HSD17B10NPC1
SCHEMBL6473180 0.86 NPC1 (0.52) NPC1POLBSMN1; SMN2KMT2ALMNA
SCHEMBL6481063 0.84 KDM4E (0.45) KDM4EUSP2ALOX15HSD17B10NPC1
SCHEMBL6475001 0.84 USP2 (0.45) KDM4EUSP2ALOX15HSD17B10NPC1
SCHEMBL6474685 0.83 LMNA (0.43) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6476134 0.81 KDM4E (0.45) KDM4EUSP2ALOX15HSD17B10NPC1
SCHEMBL6479757 0.80 USP2 (0.44) KDM4EUSP2ALOX15HSD17B10NPC1
SCHEMBL6474324 0.80 SLC27A1 (0.45) KDM4ENPC1RAB9APOLBALDH1A1

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 KDM4E 1122/4885USP2 4536/4885ALOX15 1298/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 KDM4E 927/4885USP2 4749/4885ALOX15 1879/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E KDM4E 1122/4885USP2 4536/4885ALOX15 1298/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 KDM4E 927/4885USP2 4749/4885ALOX15 1879/4885

“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.