SCHEMBL315782

SCHEMBL315782

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.54
CNR2 P34972 6/20 0.54
OPRL1 P41146 1/20 0.43
TRPA1 O75762 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
MLYCD O95822 1/20 0.40
ADRA1A P35348 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
BRD4 O60885 1/20 0.38
AVPR1A P37288 1/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 2/20 0.37
SLC22A1 O15245 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL316202 0.80 TRPA1 (0.41) CNR1CNR2TRPA1TRPM8BRD4
SCHEMBL314945 0.78 OPRM1 (0.47) OPRL1TRPA1TRPM8BRD4AVPR1A
SCHEMBL27648949 0.78 CNR1 (0.42) CNR1CNR2TRPA1TRPM8BRD4
SCHEMBL315251 0.76 TRPA1 (0.46) TRPA1TRPM8BRD4
SCHEMBL315110 0.76 LMNA (0.64) TRPA1TRPM8
SCHEMBL315737 0.74 NOTUM (0.56) TRPA1TRPM8AVPR1A
SCHEMBL315524 0.73 OPRM1 (0.46) OPRM1
SCHEMBL4643814 0.73 BRD4 (0.50) CNR1CNR2TRPA1TRPM8BRD4
SCHEMBL314766 0.72 DRD2 (0.41) CNR1CNR2TRPA1TRPM8BRD4
SCHEMBL315925 0.72 NPY5R (0.44) CNR1CNR2TRPA1TRPM8AVPR1A

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
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-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
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
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 CNR1 37/4885CNR2 35/4885OPRL1 176/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 CNR1 102/4885CNR2 130/4885OPRL1 28/4885

“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.