SCHEMBL316202

SCHEMBL316202

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
MAPK1 P28482 2/20 0.39
BRD4 O60885 1/20 0.38
AVPR1A P37288 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DGAT1 O75907 1/20 0.37
KCNH2 Q12809 1/20 0.37
NOTUM Q6P988 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL314766 0.87 DRD2 (0.41) TRPA1TRPM8BRD4AVPR1AKCNH2
SCHEMBL315524 0.85 OPRM1 (0.46) MAPK1MEN1KMT2AALDH1A1KDM4E
SCHEMBL315251 0.81 TRPA1 (0.46) TRPA1TRPM8BRD4MEN1KMT2A
SCHEMBL315782 0.80 CNR1 (0.54) TRPA1TRPM8BRD4AVPR1AKCNH2
SCHEMBL5815630 0.80 MAPK1 (0.35) MAPK1BRD4AVPR1AMEN1KMT2A
SCHEMBL315737 0.79 NOTUM (0.56) TRPA1TRPM8AVPR1AKMT2ANOTUM
SCHEMBL315925 0.77 NPY5R (0.44) TRPA1TRPM8AVPR1ANOTUMCNR1
SCHEMBL315110 0.76 LMNA (0.64) TRPA1TRPM8MEN1KMT2AALDH1A1
SCHEMBL5155966 0.76 AVPR1A (0.48) TRPA1TRPM8BRD4AVPR1AKMT2A
SCHEMBL5158523 0.75 NPY5R (0.45) TRPA1TRPM8AVPR1ANOTUMCNR1

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 15 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
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 TRPA1 3027/4885TRPM8 2143/4885MAPK1 3698/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 TRPA1 179/4885TRPM8 266/4885MAPK1 3198/4885

“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.