SCHEMBL6252271

SCHEMBL6252271

C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccc(N)cc2)CCCCC1

nearest known ligand 0.94

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NMBR P28336 20/20 0.94
GRPR P30550 19/20 0.94
FPR1 P21462 2/20 0.78
AGTR1 P30556 1/20 0.78
GPR65 Q8IYL9 1/20 0.78

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
SCHEMBL27604502 0.90 NMBR (0.77) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6179253 0.88 NMBR (0.83) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6179971 0.87 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL30901851 0.87 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6249801 0.87 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL397898 0.84 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL397897 0.84 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL30314520 0.84 NMBR (1.00) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6917238 0.84 NMBR (0.76) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6251913 0.83 NMBR (0.74) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20020169101-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY 2002-11-14 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 (2 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-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.