SCHEMBL5436364

SCHEMBL5436364

Cc1nnc(N2CCC(Oc3ncccn3)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 15/20 0.53
OXTR P30559 12/20 0.53
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX2 P34913 1/20 0.39
CYP2J2 P51589 1/20 0.39
TRPA1 O75762 1/20 0.39
TRPM8 Q7Z2W7 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
SCHEMBL5155982 0.88 AVPR1A (0.56) AVPR1AOXTR
SCHEMBL5152897 0.85 OXTR (0.69) AVPR1AOXTRTRPA1TRPM8
SCHEMBL5155822 0.85 AVPR1A (0.39) AVPR1AOXTRCYP2C9CYP2C19EPHX2
SCHEMBL5157264 0.84 OXTR (0.55) AVPR1AOXTRCYP2C9CYP2C19EPHX2
SCHEMBL5157145 0.81 AVPR1A (0.40) AVPR1AOXTRCYP2C9CYP2C19EPHX2
SCHEMBL5426182 0.80 AVPR1A (0.54) AVPR1AOXTRTRPA1TRPM8
SCHEMBL5428048 0.80 AVPR1A (0.52) AVPR1AOXTREPHX2TRPA1TRPM8
SCHEMBL5424649 0.78 OXTR (0.45) AVPR1AOXTRTRPA1TRPM8
SCHEMBL5155966 0.78 AVPR1A (0.48) AVPR1AOXTRTRPA1TRPM8
SCHEMBL8256810 0.78 AVPR1A (0.48) AVPR1AOXTRTRPA1TRPM8

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-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
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 AVPR1A 3/4885OXTR 9/4885CYP2C9 3062/4885

“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.