SCHEMBL6179262

SCHEMBL6179262

CC(Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NC(O)C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NMBR P28336 19/20 0.66
GRPR P30550 16/20 0.66
FPR1 P21462 2/20 0.61
AGTR1 P30556 1/20 0.61
GPR65 Q8IYL9 1/20 0.61
CCKBR P32239 1/20 0.48

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
SCHEMBL6179976 0.87 NMBR (0.65) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6917245 0.86 NMBR (0.68) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6251913 0.86 NMBR (0.74) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6180815 0.86 NMBR (0.74) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6917235 0.84 NMBR (0.71) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL7192683 0.84 NMBR (0.67) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6181026 0.82 NMBR (0.81) NMBRGRPR
SCHEMBL6179253 0.81 NMBR (0.83) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6917238 0.79 NMBR (0.76) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6181113 0.79 NMBR (0.53) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920424-B1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-11-30 EP claimed
EP-1333824-B1 TREATMENT OF SEXUAL DYSFUNCTION WITH BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-09-07 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-2002040008-A2 TREATMENT OF SEXUAL DYSFUNCTION WITH NON PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO claimed
US-6194437-B1 ANTIDEPRESSANTS; ANTICANCER AGENTS; GASTROINTESTINAL DISORDERS; COGNITION ACTIVATORS WARNER-LAMBERT COMPANY 2001-02-27 US claimed
EP-0920424-B1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
EP-1333824-B1 TREATMENT OF SEXUAL DYSFUNCTION WITH BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-09-07 EP disclosed
US-20040087561-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY LLC 2004-05-06 US disclosed
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 disclosed
EP-1333824-A2 TREATMENT OF SEXUAL DYSFUNCTION Warner-Lambert Company LLC (US) 2003-08-13 EP disclosed
EP-1333829-A1 TREATMENT OF SEXUAL DYSFUNCTION USING BOMBESIN ANTAGONISTS Warner-Lambert Company LLC (US) 2003-08-13 EP disclosed
US-20020169101-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY 2002-11-14 US 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-2002040008-A2 TREATMENT OF SEXUAL DYSFUNCTION WITH NON PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO disclosed
WO-2002040022-A1 TREATMENT OF SEXUAL DYSFUNCTION USING BOMBESIN ANTAGONIST 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 (3 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-20020169101-A1 Treatment of sexual dysfunction BRS3, MME, ECE1 NMBR 258/4885GRPR 199/4885FPR1 632/4885

“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.