SCHEMBL6474656

SCHEMBL6474656

O=C(Cn1c2c(c3cc(Cl)c(Cl)cc31)CCN(C(=O)O)CC2)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.48
BAZ2B Q9UIF8 2/20 0.44
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
PTGER2 P43116 1/20 0.40
PTGDR Q13258 1/20 0.40
CYP2C9 P11712 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
SCHEMBL6481086 0.88 KDM4E (0.47) PTGDR2BAZ2BKDM4EALDH1A1MAPT
SCHEMBL6475946 0.87 HDAC1 (0.44) PTGDR2BAZ2BNPC1ALDH1A1HDAC6
SCHEMBL6474125 0.86 PTGDR2 (0.64) PTGDR2NPC1KDM4EALDH1A1HDAC6
SCHEMBL6484748 0.84 LMNA (0.43) BAZ2BTP53RAB9AMAPT
SCHEMBL6481777 0.83 PTGDR2 (0.46) PTGDR2BAZ2BNPC1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6474816 0.83 LMNA (0.41) PTGDR2NPC1KDM4EALDH1A1HDAC6
SCHEMBL7220006 0.79 MAPT (0.54) PTGDR2KDM4EALDH1A1MAPT
SCHEMBL3229810 0.78 BAZ2B (0.55) PTGDR2BAZ2BKDM4EALDH1A1HDAC6
SCHEMBL6475908 0.78 ENPP2 (0.52) PTGDR2BAZ2BPTGER2PTGDR
SCHEMBL6481415 0.78 BAZ2B (0.43) PTGDR2BAZ2BKDM4EALDH1A1PTGER2

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 PTGDR2 234/4885BAZ2B 3100/4885NPC1 1345/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 PTGDR2 363/4885BAZ2B 3155/4885NPC1 1176/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E PTGDR2 234/4885BAZ2B 3100/4885NPC1 1345/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 PTGDR2 363/4885BAZ2B 3155/4885NPC1 1176/4885

“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.