SCHEMBL6253307

SCHEMBL6253307

COc1ccc(C(NC(=O)C(C)(Cc2c[nH]c3ccccc23)Nc2nc(-c3ccccc3)co2)C2CCCCC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.41
NMBR P28336 3/20 0.40
FPR1 P21462 2/20 0.40
GRPR P30550 1/20 0.40
FPR2 P25090 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6253540 0.93 NMBR (0.38) TACR1NMBRFPR1GRPRFPR2
SCHEMBL6252251 0.93 NMBR (0.48) TACR1NMBRFPR1GRPR
SCHEMBL7092917 0.92 FPR1 (0.37) TACR1NMBRFPR1GRPRFPR2
SCHEMBL6252419 0.90 TACR1 (0.40) TACR1NMBRFPR1GRPRFPR2
SCHEMBL6251353 0.84 MEN1 (0.35)
SCHEMBL7636672 0.83 GHSR (0.44) TACR1NMBRFPR1GRPRFPR2
SCHEMBL6718194 0.83 GHSR (0.44) TACR1NMBRFPR1GRPRFPR2
SCHEMBL6252297 0.82 NMBR (0.48) TACR1NMBRFPR1GRPRMAPT
SCHEMBL6990221 0.82 NMBR (0.48) TACR1NMBRFPR1GRPRMAPT
SCHEMBL6251031 0.81 ALDH1A1 (0.37) NMBRFPR1GRPRMAPT

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 15 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
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 TACR1 57/4885NMBR 122/4885FPR1 607/4885
US-20040110768-A1 Bombesin receptor antagonists NPY1R, BDKRB1, NPY2R TACR1 61/4885NMBR 142/4885FPR1 139/4885
US-20040087561-A1 Treatment of sexual dysfunction BRS3, MME, ECE1 TACR1 262/4885NMBR 258/4885FPR1 632/4885
US-20020169101-A1 Treatment of sexual dysfunction BRS3, MME, ECE1 TACR1 262/4885NMBR 258/4885FPR1 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.