SCHEMBL4710762

SCHEMBL4710762

Cc1nnc(N2CCC(N3C(=O)COc4cccnc43)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.43
CD74 P04233 2/20 0.40
CTSS P25774 2/20 0.40
OXTR P30559 5/20 0.35
TRPA1 O75762 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CHI3L1 P36222 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHIT1 Q13231 1/20 0.33
CHI3L2 Q15782 1/20 0.33
CHIA Q9BZP6 1/20 0.33
USP14 P54578 1/20 0.33
BRD4 O60885 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4790334 0.84 AVPR1A (0.46) AVPR1AOXTRTRPA1TRPM8CHI3L1
SCHEMBL4713503 0.83 AVPR1A (0.45) AVPR1AOXTRTRPA1TRPM8CHI3L1
SCHEMBL4712455 0.75 AVPR1A (0.44) AVPR1AOXTRTRPA1TRPM8KCNH2
SCHEMBL4713593 0.74 AVPR1A (0.45) AVPR1AOXTRKCNH2
SCHEMBL4760978 0.72 AVPR1A (0.47) AVPR1AOXTRTRPA1TRPM8
SCHEMBL4714355 0.72 AVPR1A (0.47) AVPR1AOXTRTRPA1TRPM8KCNH2
SCHEMBL5436364 0.71 AVPR1A (0.53) AVPR1AOXTRTRPA1TRPM8
SCHEMBL5428048 0.71 AVPR1A (0.52) AVPR1AOXTRTRPA1TRPM8
SCHEMBL5426182 0.71 AVPR1A (0.54) AVPR1AOXTRTRPA1TRPM8BRD4
SCHEMBL4790977 0.71 CD74 (0.43) CD74CTSSOXTRKCNH2MALT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US claimed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
EP-1877399-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-01-16 EP disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 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-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885CD74 4745/4885CTSS 1766/4885

“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.