SCHEMBL4620868

SCHEMBL4620868

O[C@@H]1CCN(c2nnc(Cn3nccn3)n2-c2ccc(Cl)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 3/20 0.39
AVPR1A P37288 2/20 0.37
MCHR1 Q99705 3/20 0.36
AR P10275 1/20 0.36
CNR2 P34972 2/20 0.35
MAT2A P31153 1/20 0.34
NOTUM Q6P988 1/20 0.34
TRPA1 O75762 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
MAPK14 Q16539 2/20 0.34
USP14 P54578 1/20 0.33
OXTR P30559 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33

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
SCHEMBL4685389 0.93 AVPR1A (0.38) WDR91AVPR1AMCHR1CNR2NOTUM
SCHEMBL316421 0.83 NOTUM (0.48) AVPR1ANOTUMTRPA1TRPM8
SCHEMBL315330 0.81 MCHR1 (0.40) MCHR1NOTUMOXTR
SCHEMBL4622389 0.78 TRPA1 (0.38) AVPR1ATRPA1TRPM8
SCHEMBL5157145 0.78 AVPR1A (0.40) AVPR1ATRPA1TRPM8OXTR
SCHEMBL4619490 0.77 TRPA1 (0.39) AVPR1ATRPA1TRPM8MAPK13MAPK12
SCHEMBL4624366 0.76 TRPA1 (0.34) AVPR1ATRPA1TRPM8
SCHEMBL8258677 0.74 AVPR1A (0.31) AVPR1A
SCHEMBL4897404 0.74 AVPR1A (0.35) AVPR1ACNR2TRPA1TRPM8OXTR
SCHEMBL4681115 0.73 TRPA1 (0.32) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
EP-1885713-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-02-13 EP disclosed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 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 (1 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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 WDR91 1824/4885AVPR1A 1/4885MCHR1 92/4885

“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.