SCHEMBL5116687

SCHEMBL5116687

COCc1nnc(-c2ccc(-c3cccc(OC)c3)cc2)n1-c1ccc(OC)nc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OXTR P30559 19/20 0.67
AVPR1A P37288 18/20 0.67
AVPR2 P30518 7/20 0.67
AVPR1B P47901 1/20 0.45

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
SCHEMBL8282006 0.83 OXTR (0.72) OXTRAVPR1AAVPR2
SCHEMBL5112336 0.82 OXTR (0.71) OXTRAVPR1AAVPR2
SCHEMBL8281628 0.81 OXTR (0.70) OXTRAVPR1AAVPR2
SCHEMBL5122145 0.81 OXTR (0.82) OXTRAVPR1AAVPR2
SCHEMBL5116714 0.80 OXTR (1.00) OXTRAVPR1AAVPR2
SCHEMBL931377 0.76 OXTR (0.80) OXTRAVPR1AAVPR2
SCHEMBL5115490 0.76 OXTR (0.70) OXTRAVPR1AAVPR2
SCHEMBL8280934 0.76 OXTR (0.81) OXTRAVPR1AAVPR2
SCHEMBL931371 0.75 OXTR (1.00) OXTRAVPR1AAVPR2
SCHEMBL932296 0.74 OXTR (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists BROWN ALAN DANIEL 2008-09-04 US disclosed
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists BROWN ALAN DANIEL 2008-09-04 US disclosed
US-20080214622-A1 Substituted Triazole Derivatives As Oxytocin Antagonists BROWN ALAN DANIEL 2008-09-04 US disclosed
WO-2006100588-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-20080214622-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.