SCHEMBL314945

SCHEMBL314945

Cc1nnc(N2CCC(C#N)(c3ccccc3)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.47
TRPA1 O75762 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
ALDH1A1 P00352 2/20 0.42
OPRD1 P41143 1/20 0.40
OPRL1 P41146 1/20 0.40
BRD4 O60885 1/20 0.40
GRM2 Q14416 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
AVPR1A P37288 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
SCD O00767 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
SCHEMBL10241349 0.91 OPRM1 (0.47) OPRM1ALDH1A1OPRD1OPRL1CA12
SCHEMBL315782 0.78 CNR1 (0.54) OPRM1TRPA1TRPM8OPRD1OPRL1
SCHEMBL27648949 0.78 CNR1 (0.42) TRPA1TRPM8ALDH1A1BRD4AVPR1A
SCHEMBL4643814 0.74 BRD4 (0.50) TRPA1TRPM8ALDH1A1BRD4AVPR1A
SCHEMBL316202 0.74 TRPA1 (0.41) TRPA1TRPM8ALDH1A1BRD4AVPR1A
SCHEMBL4621149 0.73 SIGMAR1 (0.45) TRPA1TRPM8ALDH1A1BRD4AVPR1A
SCHEMBL4621637 0.72 AVPR1A (0.50) AVPR1A
SCHEMBL8285404 0.72 ADRB1 (0.56) TRPA1TRPM8BRD4AVPR1A
SCHEMBL4620922 0.72 BRD4 (0.46) TRPA1TRPM8ALDH1A1BRD4AVPR1A
SCHEMBL4620669 0.71 AVPR1A (0.52) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
CN-1898244-B Triazole derivatives as vasopressin antagonists PFIZER 2011-06-22 CN disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
CN-1898244-A Triazole derivatives as vasopressin antagonists PFIZER (US) 2007-01-17 CN disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 OPRM1 199/4885TRPA1 3027/4885TRPM8 2143/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 OPRM1 60/4885TRPA1 179/4885TRPM8 266/4885

“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.