SCHEMBL5157145

SCHEMBL5157145

Clc1ccc(-n2c(Cn3nccn3)nnc2N2CCC(Oc3ncccn3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.40
OXTR P30559 10/20 0.40
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX2 P34913 1/20 0.38
CYP2J2 P51589 1/20 0.38
TRPA1 O75762 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
SCD O00767 1/20 0.33
RET P07949 1/20 0.32

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
SCHEMBL5157264 0.85 OXTR (0.55) AVPR1AOXTRCYP2C9CYP2C19EPHX2
SCHEMBL4685389 0.82 AVPR1A (0.38) AVPR1AOXTRTRPA1TRPM8DRD2
SCHEMBL5436364 0.81 AVPR1A (0.53) AVPR1AOXTRCYP2C9CYP2C19EPHX2
SCHEMBL5155822 0.80 AVPR1A (0.39) AVPR1AOXTRCYP2C9CYP2C19EPHX2
SCHEMBL316421 0.78 NOTUM (0.48) AVPR1ACYP2C19TRPA1TRPM8
SCHEMBL4620868 0.78 WDR91 (0.39) AVPR1AOXTRTRPA1TRPM8
SCHEMBL4622389 0.76 TRPA1 (0.38) AVPR1ACYP2C9CYP2C19TRPA1TRPM8
SCHEMBL4619490 0.75 TRPA1 (0.39) AVPR1AOXTRCYP2C9CYP2C19TRPA1
SCHEMBL4713758 0.75 AVPR1A (0.35) AVPR1ATRPA1TRPM8DRD4DRD3
SCHEMBL25204782 0.74 AVPR1A (0.54) AVPR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742932-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR Pfizer Limited (GB) 2007-01-17 EP claimed
WO-2005105779-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR PFIZER LIMITED (GB) 2005-11-10 WO claimed
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

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.