SCHEMBL315925

SCHEMBL315925

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.44
AVPR1A P37288 2/20 0.43
CCR5 P51681 1/20 0.43
CNR1 P21554 11/20 0.43
CNR2 P34972 7/20 0.43
NOTUM Q6P988 1/20 0.41
OXTR P30559 1/20 0.41
TRPA1 O75762 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
AOC3 Q16853 1/20 0.40

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
SCHEMBL315574 0.89 CNR1 (0.55) AVPR1ACCR5CNR1CNR2
SCHEMBL8277120 0.86 CNR1 (0.56) CNR1CNR2
SCHEMBL315737 0.85 NOTUM (0.56) AVPR1ANOTUMOXTRTRPA1TRPM8
SCHEMBL8277898 0.85 AVPR1A (0.46) AVPR1AOXTRTRPA1TRPM8
Hydrochloric Acid SCHEMBL5443700 0.84 AVPR1A (0.46) AVPR1AOXTRTRPA1TRPM8
SCHEMBL5158518 0.83 HTT (0.43) AVPR1ACNR1CNR2NOTUMOXTR
SCHEMBL5155966 0.82 AVPR1A (0.48) AVPR1ACNR1CNR2NOTUMOXTR
SCHEMBL5158523 0.81 NPY5R (0.45) NPY5RAVPR1ACCR5CNR1CNR2
SCHEMBL14485532 0.80 NOTUM (0.56) NPY5RCNR1NOTUM
SCHEMBL315251 0.80 TRPA1 (0.46) TRPA1TRPM8

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 11 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-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-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
EP-1742932-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR Pfizer Limited (GB) 2007-01-17 EP 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-2005105779-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR PFIZER LIMITED (GB) 2005-11-10 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 (4 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 NPY5R 195/4885AVPR1A 3/4885CCR5 401/4885
US-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 NPY5R 55/4885AVPR1A 533/4885CCR5 423/4885
US-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 NPY5R 146/4885AVPR1A 1/4885CCR5 1132/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 NPY5R 18/4885AVPR1A 1/4885CCR5 817/4885

“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.