SCHEMBL932450

SCHEMBL932450

COCc1nnc(-c2cnc(-c3ccc(F)cc3C)cn2)o1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OXTR P30559 4/20 0.47
AVPR1A P37288 3/20 0.47
ANO1 Q5XXA6 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ANO2 Q9NQ90 1/20 0.39
GRM5 P41594 4/20 0.39
POLB P06746 3/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
KCNH2 Q12809 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL932389 0.88 POLB (0.41) OXTRAVPR1AANO1NPC1RAB9A
SCHEMBL931204 0.88 ANO1 (0.38) OXTRAVPR1AANO1NPC1RAB9A
SCHEMBL931960 0.83 GRIN2B (0.39) OXTRAVPR1AANO1NPC1RAB9A
SCHEMBL931919 0.81 OXTR (0.45) OXTRAVPR1AGRM5KCNH2MAPT
SCHEMBL932102 0.78 AVPR2 (0.48) OXTRAVPR1AANO1NPC1RAB9A
SCHEMBL931284 0.74 HPGD (0.50) ANO1NPC1RAB9AANO2POLB
SCHEMBL931228 0.72 NPC1 (0.37) ANO1NPC1RAB9AANO2POLB
SCHEMBL5122116 0.72 NPC1 (0.46) ANO1NPC1RAB9AANO2POLB
SCHEMBL930734 0.69 CA2 (0.45) NPC1RAB9APOLBHPGDSMN1; SMN2
SCHEMBL15256071 0.69 OXTR (0.47) OXTRAVPR1ANPC1RAB9AGRM5

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
US-7875615-B2 3-(4-Fluoro-2-methyl-phenyl)-6-[5-methoxymethyl-4-(6-methoxy-pyridin-3-yl)-4H-[1,2,4]triazol-3-yl]-pyridazine; treatment of male sexual dysfunction, female sexual dysfunction, hypoactive sexual desire disorder, sexual arousal disorder, orgasmic disorder, sexual pain disorder, or premature ejaculation PFIZER INC (US) 2011-01-25 US disclosed
US-7875615-B2 3-(4-Fluoro-2-methyl-phenyl)-6-[5-methoxymethyl-4-(6-methoxy-pyridin-3-yl)-4H-[1,2,4]triazol-3-yl]-pyridazine; treatment of male sexual dysfunction, female sexual dysfunction, hypoactive sexual desire disorder, sexual arousal disorder, orgasmic disorder, sexual pain disorder, or premature ejaculation PFIZER INC (US) 2011-01-25 US disclosed
US-7875615-B2 3-(4-Fluoro-2-methyl-phenyl)-6-[5-methoxymethyl-4-(6-methoxy-pyridin-3-yl)-4H-[1,2,4]triazol-3-yl]-pyridazine; treatment of male sexual dysfunction, female sexual dysfunction, hypoactive sexual desire disorder, sexual arousal disorder, orgasmic disorder, sexual pain disorder, or premature ejaculation PFIZER INC (US) 2011-01-25 US disclosed
US-20100063064-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2010-03-11 US disclosed
US-20100063064-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2010-03-11 US disclosed
US-20100063064-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2010-03-11 US disclosed
US-7649003-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2010-01-19 US disclosed
US-7649003-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2010-01-19 US disclosed
US-7649003-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2010-01-19 US disclosed
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists PFIZER INC 2008-05-08 US disclosed
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists PFIZER INC 2008-05-08 US disclosed
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists PFIZER INC 2008-05-08 US disclosed
US-7291640-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2007-11-06 US disclosed
US-7291640-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2007-11-06 US disclosed
US-7291640-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2007-11-06 US disclosed
WO-2005028452-A9 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2005-07-21 WO disclosed
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. PFIZER INC. 2005-05-19 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-20100063064-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, PRLHR, KISS1R OXTR 1/4885AVPR1A 9/4885ANO1 1321/4885
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. OXTR, OPRL1, NPY4R OXTR 1/4885AVPR1A 342/4885ANO1 488/4885
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists OXTR, PRLHR, KISS1R OXTR 1/4885AVPR1A 9/4885ANO1 1321/4885

“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.