SCHEMBL4125784

SCHEMBL4125784

COCc1nnc(N2CCC(O)C2)n1-c1ccc(OC)nc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 17/20 0.67
OXTR P30559 10/20 0.67
AVPR2 P30518 9/20 0.57
TACR1 P25103 1/20 0.56
OPRK1 P41145 1/20 0.56
GHSR Q92847 1/20 0.56
AVPR1B P47901 5/20 0.55

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
SCHEMBL8271860 1.00 AVPR1A (0.67) AVPR1AOXTRAVPR2TACR1OPRK1
SCHEMBL4111772 0.94 AVPR1A (0.68) AVPR1AOXTRAVPR2TACR1OPRK1
SCHEMBL4124946 0.91 AVPR1A (0.66) AVPR1AOXTRAVPR2TACR1OPRK1
SCHEMBL4120292 0.85 OXTR (0.68) AVPR1AOXTRAVPR2AVPR1B
SCHEMBL20345733 0.83 OXTR (0.68) AVPR1AOXTRAVPR2TACR1OPRK1
SCHEMBL4126546 0.80 OXTR (1.00) AVPR1AOXTRAVPR2TACR1OPRK1
SCHEMBL4112837 0.80 AVPR1A (0.65) AVPR1AOXTRAVPR2TACR1OPRK1
SCHEMBL4118411 0.80 OXTR (0.87) AVPR1AOXTRAVPR2TACR1OPRK1
SCHEMBL21547420 0.79 OXTR (0.76) AVPR1AOXTRAVPR2TACR1OPRK1
SCHEMBL21547402 0.79 OXTR (1.00) AVPR1AOXTRAVPR2TACR1OPRK1

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 11 patents. 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-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-20130137671-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC. 2013-05-30 US disclosed
US-8207198-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2012-06-26 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-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

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 AVPR1A 6/4885OXTR 1/4885AVPR2 4/4885
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR AVPR1A 6/4885OXTR 1/4885AVPR2 4/4885
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR AVPR1A 6/4885OXTR 1/4885AVPR2 4/4885
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR AVPR1A 6/4885OXTR 1/4885AVPR2 4/4885
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, AVPR1B, GNRHR AVPR1A 6/4885OXTR 1/4885AVPR2 4/4885
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR AVPR1A 6/4885OXTR 1/4885AVPR2 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.