SCHEMBL8256065

SCHEMBL8256065

Cc1nnc(N2CCC(Nc3ncccc3N)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.47
OXTR P30559 5/20 0.40
CNR1 P21554 7/20 0.39
CNR2 P34972 6/20 0.39
BRD4 O60885 2/20 0.36
TRPA1 O75762 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL5428048 0.85 AVPR1A (0.52) AVPR1AOXTRCNR1CNR2TRPA1
SCHEMBL4897426 0.85 AVPR1A (0.44) AVPR1AOXTRCNR1CNR2BRD4
SCHEMBL8255900 0.84 OXTR (0.43) AVPR1AOXTRCNR1CNR2BRD4
SCHEMBL4890791 0.84 AVPR1A (0.43) AVPR1AOXTRCNR1CNR2
SCHEMBL5436405 0.82 CNR1 (0.55) AVPR1AOXTRCNR1CNR2BRD4
SCHEMBL8277898 0.78 AVPR1A (0.46) AVPR1AOXTRBRD4TRPA1TRPM8
Hydrochloric Acid SCHEMBL5443700 0.77 AVPR1A (0.46) AVPR1AOXTRBRD4TRPA1TRPM8
SCHEMBL8256810 0.75 AVPR1A (0.48) AVPR1AOXTRBRD4TRPA1TRPM8
SCHEMBL5436364 0.75 AVPR1A (0.53) AVPR1AOXTRTRPA1TRPM8
SCHEMBL5426182 0.75 AVPR1A (0.54) AVPR1AOXTRCNR1CNR2BRD4

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-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 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-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 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 (2 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 9/4885CNR1 58/4885
US-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885OXTR 5/4885CNR1 8/4885

“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.