SCHEMBL4840466

SCHEMBL4840466

Cc1cc(C#N)ccc1C(=O)N1Cc2cnn(C)c2Nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 19/20 0.59
OXTR P30559 13/20 0.59
AVPR2 P30518 7/20 0.59
TSPO P30536 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM3 P20309 1/20 0.46
DRD3 P35462 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL18917292 0.85 AVPR1A (0.65) AVPR1AOXTRAVPR2TSPOCHRM2
SCHEMBL4832029 0.83 AVPR1A (0.60) AVPR1AOXTRAVPR2TSPO
SCHEMBL4831821 0.83 AVPR1A (0.68) AVPR1AOXTRAVPR2TSPOCHRM2
SCHEMBL18917272 0.81 AVPR1A (0.70) AVPR1AOXTRAVPR2TSPOCHRM2
SCHEMBL26185549 0.81 AVPR1A (0.75) AVPR1AOXTRAVPR2TSPOCHRM2
SCHEMBL30046134 0.81 AVPR1A (0.75) AVPR1AOXTRAVPR2TSPOCHRM2
SCHEMBL26185552 0.79 AVPR1A (0.67) AVPR1AOXTRAVPR2TSPO
SCHEMBL30046935 0.79 AVPR1A (0.67) AVPR1AOXTRAVPR2TSPO
SCHEMBL6024708 0.79 AVPR1A (0.62) AVPR1AOXTRAVPR2TSPOCHRM2
SCHEMBL20277568 0.78 HTT (0.61) AVPR1AOXTRAVPR2TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. 2008-11-06 US disclosed
US-7407949-B2 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2008-08-05 US disclosed
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2006-07-27 US disclosed
EP-1592693-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS Ferring B.V. (NL) 2005-11-09 EP disclosed
WO-2004072083-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS FERRING B.V. (NL) 2004-08-26 WO disclosed
EP-1449844-A1 benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2004-08-25 EP 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 (2 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-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885OXTR 4/4885AVPR2 2/4885
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885OXTR 4/4885AVPR2 2/4885

“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.