SCHEMBL6480704

SCHEMBL6480704

Cc1csc(NC(=O)Cn2c3c(c4cccc(Br)c42)CCN(C(=O)O)CC3)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.44
POLB P06746 3/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL6475454 0.86 USP2 (0.47) HSD17B10KDM4EUSP2ALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL6475912 0.85 HSD17B10 (0.43) HSD17B10KDM4EUSP2ALOX15SMN1; SMN2
SCHEMBL3239095 0.73 SMN1; SMN2 (0.49) HSD17B10KDM4EUSP2ALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL6475898 0.72 SMN1; SMN2 (0.48) HSD17B10KDM4EUSP2ALOX15SMN1; SMN2
SCHEMBL6479757 0.72 USP2 (0.44) HSD17B10KDM4EUSP2ALOX15SMN1; SMN2
SCHEMBL207842 0.71 KDM4E (0.73) HSD17B10KDM4EUSP2ALOX15SMN1; SMN2
SCHEMBL6484143 0.70 NPC1 (0.45) HSD17B10KDM4EUSP2ALOX15SMN1; SMN2
SCHEMBL7220867 0.69 MAPT (0.53) HSD17B10KDM4EPOLBTSHRLMNA
SCHEMBL6474125 0.68 PTGDR2 (0.64) HSD17B10KDM4ELMNAKMT2ACYP2C9
SCHEMBL7220006 0.68 MAPT (0.54) KDM4EPOLBKMT2ACYP1A2CYP3A4

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 11 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-20050085475-A1 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9,-trioxa-3-aza-cyclopenta[a]naphthalene as 5-ht1a antagonists WYETH (US) 2005-04-21 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 (5 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 HSD17B10 3460/4885KDM4E 1122/4885USP2 4536/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HSD17B10 3533/4885KDM4E 927/4885USP2 4749/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HSD17B10 3460/4885KDM4E 1122/4885USP2 4536/4885
US-20050085475-A1 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9,-trioxa-3-aza-cyclopenta[a]naphthalene as 5-ht1a antagonists HTR1A, HTR5A, HTR1B HSD17B10 558/4885KDM4E 1612/4885USP2 3060/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HSD17B10 3533/4885KDM4E 927/4885USP2 4749/4885

“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.