SCHEMBL397897

SCHEMBL397897

COc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NMBR P28336 18/20 1.00
GRPR P30550 18/20 1.00
FPR1 P21462 4/20 1.00
AGTR1 P30556 1/20 0.81
GPR65 Q8IYL9 1/20 0.81

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
SCHEMBL397898 1.00 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL30314520 1.00 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6249801 0.89 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL30901851 0.89 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6179971 0.89 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6810082 0.84 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6252249 0.84 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6252271 0.84 NMBR (0.94) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6250987 0.83 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL7654323 0.83 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101580-B2 Therapeutic agent for irritable bowel syndrome ASTELLAS PHARMA INC. (JP) 2012-01-24 US claimed
US-20090093415-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME ASTELLAS PHARMA INC. (JP) 2009-04-09 US claimed
EP-1872795-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME Astellas Pharma Inc. (JP) 2008-01-02 EP claimed
EP-1333824-B1 TREATMENT OF SEXUAL DYSFUNCTION WITH BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-09-07 EP claimed
US-20040087561-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY LLC 2004-05-06 US claimed
EP-1343498-A1 NOVEL USES OF NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS FOR TREATING ANXIETY AND PANIC DISORDERS Warner-Lambert Company LLC (US) 2003-09-17 EP claimed
EP-1333824-A2 TREATMENT OF SEXUAL DYSFUNCTION Warner-Lambert Company LLC (US) 2003-08-13 EP claimed
US-20020169101-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY 2002-11-14 US claimed
WO-2002049644-A1 NOVEL USES OF NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS FOR TREATING ANXIETY AND PANIC DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2002-06-27 WO claimed
WO-2002040008-A2 TREATMENT OF SEXUAL DYSFUNCTION WITH NON PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO claimed
US-8101580-B2 Therapeutic agent for irritable bowel syndrome ASTELLAS PHARMA INC. (JP) 2012-01-24 US disclosed
US-20090093415-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME ASTELLAS PHARMA INC. (JP) 2009-04-09 US disclosed
EP-1872795-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME Astellas Pharma Inc. (JP) 2008-01-02 EP disclosed
US-20060052435-A1 Selective dopamin d3 receptor agonists for the treatment of sexual dysfunction VAN DER GRAAF PIETER H 2006-03-09 US disclosed
EP-1333824-B1 TREATMENT OF SEXUAL DYSFUNCTION WITH BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-09-07 EP disclosed
WO-2002049644-A1 NOVEL USES OF NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS FOR TREATING ANXIETY AND PANIC DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2002-06-27 WO disclosed
WO-2002047670-A1 TREATMENT OF MALE SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2002-06-20 WO disclosed
WO-2002040022-A1 TREATMENT OF SEXUAL DYSFUNCTION USING BOMBESIN ANTAGONIST WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO disclosed
WO-2002040008-A2 TREATMENT OF SEXUAL DYSFUNCTION WITH NON PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO disclosed
US-20020058606-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY 2002-05-16 US 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-20020058606-A1 Treatment of sexual dysfunction BRS3, GNRHR, VIPR2 NMBR 122/4885GRPR 8/4885FPR1 607/4885
US-20040087561-A1 Treatment of sexual dysfunction BRS3, MME, ECE1 NMBR 258/4885GRPR 199/4885FPR1 632/4885
US-20090093415-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME BRS3, VIPR2, BDKRB2 NMBR 209/4885GRPR 4/4885FPR1 732/4885
US-20020169101-A1 Treatment of sexual dysfunction BRS3, MME, ECE1 NMBR 258/4885GRPR 199/4885FPR1 632/4885
US-20060052435-A1 Selective dopamin d3 receptor agonists for the treatment of sexual dysfunction DRD3, ADRB3, DRD2 NMBR 220/4885GRPR 271/4885FPR1 1425/4885

“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.