SCHEMBL6251024

SCHEMBL6251024

COc1ccc(C2(CNC(=O)[C@](C)(Cc3ccccc3)Nc3nc(-c4ccc([N+](=O)[O-])cc4)co3)CCCCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NMBR P28336 13/20 0.55
GRPR P30550 13/20 0.55
FPR1 P21462 5/20 0.55
AGTR1 P30556 1/20 0.41
GPR65 Q8IYL9 1/20 0.41
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
FPR2 P25090 2/20 0.36
PSD A5PKW4 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6254936 1.00 NMBR (0.55) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6255326 0.90 NMBR (0.51) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6810082 0.88 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6252249 0.88 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6251350 0.84 FPR1 (0.43) NMBRGRPRFPR1ALDH1A1MAPT
SCHEMBL6810086 0.81 NMBR (0.62) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6253303 0.81 NMBR (0.62) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6251031 0.80 ALDH1A1 (0.37) NMBRGRPRFPR1ALDH1A1MAPT
SCHEMBL6994303 0.80 ALDH1A1 (0.37) NMBRGRPRFPR1ALDH1A1MAPT
SCHEMBL6253532 0.77 NMBR (0.58) 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 9 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-20040110768-A1 Bombesin receptor antagonists WARNER-LAMBERT COMPANY LLC 2004-06-10 US claimed
US-20020169101-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY 2002-11-14 US claimed
US-20040110768-A1 Bombesin receptor antagonists WARNER-LAMBERT COMPANY LLC 2004-06-10 US disclosed
US-20040087561-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY LLC 2004-05-06 US disclosed
EP-1333824-A2 TREATMENT OF SEXUAL DYSFUNCTION 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-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 (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-20020058606-A1 Treatment of sexual dysfunction BRS3, GNRHR, VIPR2 NMBR 122/4885GRPR 8/4885FPR1 607/4885
US-20040110768-A1 Bombesin receptor antagonists NPY1R, BDKRB1, NPY2R NMBR 142/4885GRPR 8/4885FPR1 139/4885
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.