SCHEMBL4469981

SCHEMBL4469981

COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3Cl)cn2)cn1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OXTR P30559 20/20 0.81
AVPR1A P37288 9/20 0.81
AVPR2 P30518 1/20 0.50

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
SCHEMBL4462474 0.92 OXTR (0.77) OXTRAVPR1AAVPR2
SCHEMBL930718 0.89 OXTR (1.00) OXTRAVPR1AAVPR2
SCHEMBL931011 0.87 OXTR (0.80) OXTRAVPR1AAVPR2
SCHEMBL930962 0.86 OXTR (0.79) OXTRAVPR1AAVPR2
SCHEMBL8259086 0.85 OXTR (1.00) OXTRAVPR1AAVPR2
SCHEMBL930910 0.83 OXTR (0.77) OXTRAVPR1AAVPR2
SCHEMBL931581 0.81 OXTR (0.71) OXTRAVPR1A
SCHEMBL4455616 0.81 OXTR (1.00) OXTRAVPR1AAVPR2
SCHEMBL931105 0.81 OXTR (0.73) OXTRAVPR1AAVPR2
SCHEMBL931073 0.81 OXTR (0.70) OXTRAVPR1AAVPR2

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-7618972-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-11-17 US disclosed
US-7618972-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-11-17 US disclosed
US-7618972-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-11-17 US disclosed
EP-1863795-B1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2008-10-29 EP disclosed
EP-1863795-B1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2008-10-29 EP disclosed
US-20080167323-A1 Substituted Triazole Derivatives as Oxytocin Antagonists CALABRESE ANDREW ANTONY 2008-07-10 US disclosed
US-20080167323-A1 Substituted Triazole Derivatives as Oxytocin Antagonists CALABRESE ANDREW ANTONY 2008-07-10 US disclosed
US-20080167323-A1 Substituted Triazole Derivatives as Oxytocin Antagonists CALABRESE ANDREW ANTONY 2008-07-10 US disclosed
EP-1863795-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2007-12-12 EP disclosed
WO-2006100557-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2006-09-28 WO disclosed
WO-2006100557-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2006-09-28 WO 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 (1 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-20080167323-A1 Substituted Triazole Derivatives as Oxytocin Antagonists OXTR, PRLHR, KISS1R OXTR 1/4885AVPR1A 11/4885AVPR2 8/4885

“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.