SCHEMBL4133697

SCHEMBL4133697

COc1ccc(-n2c(C)nnc2N2CC(Oc3cccc(F)c3)C2)c(C)n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OXTR P30559 16/20 0.53
AVPR1A P37288 16/20 0.51
AVPR2 P30518 4/20 0.51
AVPR1B P47901 2/20 0.43
TACR1 P25103 1/20 0.39
OPRK1 P41145 1/20 0.39
GHSR Q92847 1/20 0.39

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
SCHEMBL4121273 0.85 OXTR (0.70) OXTRAVPR1AAVPR2AVPR1BTACR1
SCHEMBL17250075 0.84 AVPR1A (0.45) OXTRAVPR1AAVPR2AVPR1BTACR1
SCHEMBL14981470 0.82 AVPR1A (0.37) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL4124995 0.75 OXTR (0.53) OXTRAVPR1AAVPR2AVPR1BTACR1
SCHEMBL8271863 0.73 OXTR (0.60) OXTRAVPR1AAVPR2AVPR1BTACR1
SCHEMBL4119793 0.70 OXTR (0.81) OXTRAVPR1AAVPR2AVPR1BTACR1
SCHEMBL4124906 0.69 OXTR (1.00) OXTRAVPR1AAVPR2
SCHEMBL5158502 0.67 OXTR (0.55) OXTRAVPR1AAVPR2
SCHEMBL4121502 0.65 OXTR (0.80) OXTRAVPR1AAVPR2AVPR1BTACR1
SCHEMBL4120921 0.65 OXTR (0.55) OXTRAVPR1AAVPR2AVPR1B

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2018-12-11 US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 US disclosed
US-9394278-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2016-07-19 US disclosed
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2015-11-12 US disclosed
US-9023872-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2015-05-05 US disclosed
US-9023872-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2015-05-05 US disclosed
US-20130137671-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC. 2013-05-30 US disclosed
US-20130137671-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC. 2013-05-30 US disclosed
EP-1841758-B1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2009-11-18 EP disclosed
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2009-10-08 US disclosed
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2009-10-08 US disclosed
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2009-10-08 US disclosed
US-7557131-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-07-07 US disclosed
US-7557131-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-07-07 US disclosed
US-7557131-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-07-07 US disclosed
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 US disclosed
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 US disclosed
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 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 (6 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-20130137671-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, AVPR1B, GNRHR OXTR 1/4885AVPR1A 6/4885AVPR2 4/4885
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR OXTR 1/4885AVPR1A 6/4885AVPR2 4/4885
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR OXTR 1/4885AVPR1A 6/4885AVPR2 4/4885
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR OXTR 1/4885AVPR1A 6/4885AVPR2 4/4885
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, AVPR1B, GNRHR OXTR 1/4885AVPR1A 6/4885AVPR2 4/4885
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR OXTR 1/4885AVPR1A 6/4885AVPR2 4/4885

“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.