SCHEMBL5157264

SCHEMBL5157264

COCc1nnc(N2CCC(Oc3ncccn3)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OXTR P30559 17/20 0.55
AVPR1A P37288 13/20 0.55
AVPR2 P30518 4/20 0.43
TACR1 P25103 1/20 0.43
OPRK1 P41145 1/20 0.43
GHSR Q92847 1/20 0.43
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX2 P34913 1/20 0.39
CYP2J2 P51589 1/20 0.39
AVPR1B P47901 2/20 0.38

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
SCHEMBL5155787 0.89 AVPR1A (0.57) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL5157145 0.85 AVPR1A (0.40) OXTRAVPR1ACYP2C9CYP2C19EPHX2
SCHEMBL5436364 0.84 AVPR1A (0.53) OXTRAVPR1ACYP2C9CYP2C19EPHX2
SCHEMBL5155822 0.82 AVPR1A (0.39) OXTRAVPR1ACYP2C9CYP2C19EPHX2
SCHEMBL4619815 0.74 OXTR (0.49) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL4111912 0.74 OXTR (0.83) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL25254566 0.74 AVPR1A (0.56) AVPR1AAVPR2
SCHEMBL25296166 0.74 AVPR1A (0.56) AVPR1AAVPR2
SCHEMBL316696 0.73 HTR3A (0.43) OXTRAVPR1AAVPR2TACR1OPRK1
SCHEMBL5155982 0.73 AVPR1A (0.56) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor BRYANS JUSTIN S 2007-09-27 US disclosed
US-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor BRYANS JUSTIN S 2007-09-27 US disclosed
US-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor BRYANS JUSTIN S 2007-09-27 US disclosed
EP-1742932-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR Pfizer Limited (GB) 2007-01-17 EP disclosed
WO-2005105779-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR PFIZER LIMITED (GB) 2005-11-10 WO disclosed
WO-2005105779-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR PFIZER LIMITED (GB) 2005-11-10 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-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor AVPR2, RXFP3, AVPR1A OXTR 9/4885AVPR1A 3/4885AVPR2 1/4885

“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.