SCHEMBL6474609

SCHEMBL6474609

NCCn1c2c(c3ccccc31)CCN(C(=O)O)CC2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
PTGDR2 Q9Y5Y4 7/20 0.52
CYP2C9 P11712 2/20 0.51
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ENPP2 Q13822 1/20 0.49
PTGER2 P43116 1/20 0.47
PTGDR Q13258 1/20 0.47
MAOA P21397 4/20 0.46
MAOB P27338 4/20 0.46

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
SCHEMBL6480591 0.88 KDM4E (0.55) KDM4EALDH1A1PTGDR2CYP2C9MEN1
SCHEMBL6480721 0.85 PTGDR2 (0.58) KDM4EALDH1A1PTGDR2CYP2C9MEN1
SCHEMBL6475952 0.83 KDM4E (0.50) KDM4EALDH1A1PTGDR2CYP2C9MEN1
SCHEMBL6475536 0.83 HDAC1 (0.55) KDM4EALDH1A1PTGDR2CYP2C9ENPP2
SCHEMBL6480968 0.82 KDM4E (0.49) KDM4EALDH1A1PTGDR2CYP2C9MEN1
SCHEMBL6530915 0.81 PTGDR2 (0.51) KDM4EALDH1A1PTGDR2CYP2C9MEN1
SCHEMBL6473836 0.81 KDM4E (0.48) KDM4EALDH1A1PTGDR2CYP2C9MEN1
SCHEMBL6481873 0.80 PTGDR2 (0.48) KDM4EALDH1A1PTGDR2CYP2C9MEN1
SCHEMBL6474612 0.79 PTGDR2 (0.54) KDM4EALDH1A1PTGDR2CYP2C9MEN1
SCHEMBL6475071 0.79 KDM4E (0.46) KDM4EALDH1A1PTGDR2CYP2C9MEN1

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 KDM4E 1122/4885ALDH1A1 610/4885PTGDR2 234/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 KDM4E 927/4885ALDH1A1 734/4885PTGDR2 363/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E KDM4E 1122/4885ALDH1A1 610/4885PTGDR2 234/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 KDM4E 927/4885ALDH1A1 734/4885PTGDR2 363/4885

“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.