SCHEMBL6253303

SCHEMBL6253303

COc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)Nc3nc(-c4ccccc4)co3)CCCCC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NMBR P28336 14/20 0.62
GRPR P30550 12/20 0.62
FPR1 P21462 6/20 0.62
FPR2 P25090 4/20 0.54
AGTR1 P30556 1/20 0.48
GPR65 Q8IYL9 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
SCHEMBL6810086 1.00 NMBR (0.62) NMBRGRPRFPR1FPR2AGTR1
SCHEMBL6253532 0.93 NMBR (0.58) NMBRGRPRFPR1FPR2AGTR1
SCHEMBL6810082 0.93 NMBR (0.72) NMBRGRPRFPR1FPR2AGTR1
SCHEMBL6252249 0.93 NMBR (0.72) NMBRGRPRFPR1FPR2AGTR1
SCHEMBL7092916 0.92 NMBR (0.54) NMBRGRPRFPR1FPR2AGTR1
SCHEMBL6251562 0.90 NMBR (0.63) NMBRGRPRFPR1FPR2AGTR1
SCHEMBL6251350 0.84 FPR1 (0.43) NMBRGRPRFPR1FPR2
SCHEMBL6255724 0.83 NMBR (0.67) NMBRGRPRFPR1FPR2AGTR1
SCHEMBL6250987 0.81 NMBR (0.72) NMBRGRPRFPR1FPR2AGTR1
SCHEMBL7654323 0.81 NMBR (0.72) NMBRGRPRFPR1FPR2AGTR1

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 16 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-20040087561-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY LLC 2004-05-06 US claimed
EP-1334102-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2003-08-13 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-2002040475-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 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-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-1333829-A1 TREATMENT OF SEXUAL DYSFUNCTION USING BOMBESIN ANTAGONISTS Warner-Lambert Company LLC (US) 2003-08-13 EP 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-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 (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.