SCHEMBL2960127

SCHEMBL2960127

CN1Cc2ccccc2N(C(=O)c2ccc(N)cc2Cl)CC1CO

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.42
AVPR1A P37288 8/20 0.41
OXTR P30559 1/20 0.41
HSD17B3 P37058 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
SCHEMBL2951584 0.92 AVPR2 (0.41) AVPR2AVPR1AOXTRHSD17B3
SCHEMBL2954336 0.90 AVPR2 (0.40) AVPR2AVPR1AOXTRHSD17B3
SCHEMBL2960705 0.88 HSD17B3 (0.43) AVPR2AVPR1AOXTRHSD17B3
SCHEMBL2960123 0.88 HSD17B3 (0.42) AVPR2AVPR1AOXTRHSD17B3
SCHEMBL13239413 0.87 LMNA (0.40) AVPR2AVPR1AOXTRHSD17B3
SCHEMBL2961930 0.87 LMNA (0.40) AVPR2AVPR1AOXTRHSD17B3
SCHEMBL2954173 0.85 AVPR2 (0.41) AVPR2AVPR1A
SCHEMBL8266750 0.85 AVPR2 (0.41) AVPR2AVPR1A
SCHEMBL8268545 0.84 MAPT (0.48) AVPR2AVPR1A
SCHEMBL2957394 0.84 MAPT (0.48) AVPR2AVPR1A

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 AVPR2 1/4885AVPR1A 3/4885OXTR 41/4885

“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.