SCHEMBL2960698

SCHEMBL2960698

CC(=O)N1Cc2ccccc2N(C(=O)c2ccc(C(N)=O)cc2Cl)CC1CO

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.45
AVPR2 P30518 17/20 0.39
AVPR1A P37288 5/20 0.39
BRS3 P32247 1/20 0.38
OXTR P30559 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
SCHEMBL2960123 0.89 HSD17B3 (0.42) HSD17B3AVPR2AVPR1AOXTR
SCHEMBL2960705 0.89 HSD17B3 (0.43) HSD17B3AVPR2AVPR1ABRS3OXTR
SCHEMBL2961925 0.86 HSD17B3 (0.40) HSD17B3AVPR2AVPR1A
SCHEMBL2954169 0.84 AVPR2 (0.40) HSD17B3AVPR2AVPR1A
SCHEMBL2957675 0.83 AVPR2 (0.39) HSD17B3AVPR2AVPR1AOXTR
SCHEMBL2951582 0.83 HSD17B3 (0.42) HSD17B3AVPR2AVPR1AOXTR
SCHEMBL2957843 0.83 MMP1 (0.45) AVPR2AVPR1A
SCHEMBL2954333 0.81 HSD17B3 (0.41) HSD17B3AVPR2AVPR1AOXTR
SCHEMBL2954220 0.78 AVPR2 (0.39) HSD17B3AVPR2
SCHEMBL2960127 0.77 AVPR2 (0.42) HSD17B3AVPR2AVPR1AOXTR

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-7763605-B2 [1,4]benzodiazepines as vasopressin V2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2010-07-27 US disclosed
EP-1809296-A4 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-03-11 EP disclosed
EP-1809296-A2 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-25 EP disclosed
US-20060116367-A1 Novel [1,4]benzodiazepines as vasopressin V2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2006-06-01 US disclosed
WO-2006049984-A2 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 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-20060116367-A1 Novel [1,4]benzodiazepines as vasopressin V2 receptor antagonists AVPR2, AVPR1B, AVPR1A HSD17B3 330/4885AVPR2 1/4885AVPR1A 3/4885

“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.