SCHEMBL5158020

SCHEMBL5158020

Cc1nnc(N2CCC(Nc3ccccc3C(N)=O)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.41
RPS6KB1 P23443 1/20 0.39
OXTR P30559 2/20 0.39
CNR1 P21554 15/20 0.39
CNR2 P34972 13/20 0.39
CHEK1 O14757 1/20 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
SCHEMBL4897426 0.85 AVPR1A (0.44) AVPR1AOXTRCNR1CNR2
SCHEMBL8258148 0.81 MAPK1 (0.49) AVPR1AOXTRCNR1
SCHEMBL5155753 0.80 AVPR1A (0.42) AVPR1AOXTRCNR1CNR2
SCHEMBL315925 0.79 NPY5R (0.44) AVPR1AOXTRCNR1CNR2
SCHEMBL5436405 0.79 CNR1 (0.55) AVPR1AOXTRCNR1CNR2
SCHEMBL315574 0.78 CNR1 (0.55) AVPR1ACNR1CNR2
SCHEMBL5428048 0.77 AVPR1A (0.52) AVPR1AOXTRCNR1CNR2
SCHEMBL8277898 0.77 AVPR1A (0.46) AVPR1AOXTR
Hydrochloric Acid SCHEMBL5443700 0.76 AVPR1A (0.46) AVPR1AOXTR
SCHEMBL315737 0.74 NOTUM (0.56) AVPR1AOXTR

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 AVPR1A 3/4885RPS6KB1 1047/4885OXTR 9/4885

“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.