SCHEMBL4832029

SCHEMBL4832029

Cc1cc(CN)ccc1C(=O)N1Cc2cnn(C)c2Nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 19/20 0.60
OXTR P30559 12/20 0.59
AVPR2 P30518 6/20 0.59
TSPO P30536 1/20 0.49

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
SCHEMBL2704714 0.90 AVPR1A (0.49) AVPR1AOXTRAVPR2
SCHEMBL18917290 0.90 AVPR1A (0.67) AVPR1AOXTRAVPR2TSPO
SCHEMBL5549199 0.90 AVPR1A (0.55) AVPR1AOXTRAVPR2TSPO
Hydrochloric Acid SCHEMBL2131142 0.89 AVPR1A (0.55) AVPR1AOXTRAVPR2TSPO
SCHEMBL2702996 0.88 AVPR1A (0.50) AVPR1AOXTRAVPR2
SCHEMBL18917292 0.87 AVPR1A (0.65) AVPR1AOXTRAVPR2TSPO
SCHEMBL4840466 0.83 AVPR1A (0.59) AVPR1AOXTRAVPR2TSPO
SCHEMBL2130122 0.83 AVPR1A (0.74) AVPR1AOXTRAVPR2TSPO
SCHEMBL18917272 0.83 AVPR1A (0.70) AVPR1AOXTRAVPR2TSPO
SCHEMBL2705381 0.81 AVPR1A (0.46) AVPR1AOXTRAVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP claimed
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.