SCHEMBL5152897

SCHEMBL5152897

Cc1nnc(N2CCC(Oc3ccccc3)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OXTR P30559 9/20 0.69
AVPR1A P37288 8/20 0.69
TRPA1 O75762 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
HRH3 Q9Y5N1 9/20 0.44
KCNH2 Q12809 2/20 0.44

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
SCHEMBL5436364 0.85 AVPR1A (0.53) OXTRAVPR1ATRPA1TRPM8
SCHEMBL5155982 0.84 AVPR1A (0.56) OXTRAVPR1AKCNH2
SCHEMBL25301016 0.80 AVPR1A (0.56) OXTRAVPR1AHRH3KCNH2
SCHEMBL25296222 0.80 AVPR1A (0.56) OXTRAVPR1AHRH3KCNH2
SCHEMBL5424649 0.79 OXTR (0.45) OXTRAVPR1ATRPA1TRPM8
SCHEMBL8256810 0.79 AVPR1A (0.48) OXTRAVPR1ATRPA1TRPM8
SCHEMBL5155966 0.79 AVPR1A (0.48) OXTRAVPR1ATRPA1TRPM8
SCHEMBL5158502 0.78 OXTR (0.55) OXTRAVPR1A
Hydrochloric Acid SCHEMBL5156223 0.78 AVPR1A (0.47) OXTRAVPR1ATRPA1TRPM8
Hydrochloric Acid SCHEMBL315285 0.78 AVPR1A (0.47) OXTRAVPR1ATRPA1TRPM8

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 claimed
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 OXTR 9/4885AVPR1A 3/4885TRPA1 1145/4885

“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.