SCHEMBL4835299

SCHEMBL4835299

Cc1cc(C(=O)N2CCCCc3sccc32)ccc1CN

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.54
AVPR1B P47901 5/20 0.54
AVPR2 P30518 16/20 0.53
OXTR P30559 3/20 0.53

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
SCHEMBL6202773 0.90 AVPR1A (0.55) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6202224 0.87 AVPR1A (0.54) AVPR1AAVPR1BAVPR2OXTR
Hydrochloric Acid SCHEMBL5232996 0.86 AVPR1A (0.53) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6203310 0.83 AVPR1A (0.60) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL1346004 0.81 AVPR2 (0.69) AVPR1AAVPR2OXTR
Hydrochloric Acid SCHEMBL4195564 0.80 AVPR2 (0.68) AVPR1AAVPR2OXTR
SCHEMBL4837451 0.80 AVPR1A (0.54) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL8368994 0.80 AVPR2 (0.61) AVPR1AAVPR1BAVPR2OXTR
Hydrochloric Acid SCHEMBL4828748 0.79 AVPR2 (0.61) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6202295 0.78 AVPR1A (0.46) AVPR1AAVPR1BAVPR2OXTR

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 12 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
EP-1294698-B1 FUSED AZEPINE DERIVATIVES AND THEIR USE AS ANTIDIURETIC AGENTS FERRING BV (NL) 2007-08-01 EP disclosed
US-7176195-B2 Fused azepine derivatives and their use as antidiuretic agents FERRING BV (NL) 2007-02-13 US disclosed
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2006-07-27 US disclosed
EP-1399436-B1 OXYTOCIN AGONISTS FERRING BV (NL) 2005-03-16 EP disclosed
US-20050032777-A1 Diazacycloalkanes as oxytocin agonists FEERING B.V. (NL) 2005-02-10 US disclosed
US-20040235753-A1 Oxytocin agonists PITT GRAY ROBERT WILLIAM (GB) 2004-11-25 US disclosed
EP-1449844-A1 benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2004-08-25 EP disclosed
EP-1421087-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2004-05-26 EP disclosed
US-20040038962-A1 Fused azepine derivatives and their use as antidiuretic agents VANTIA LIMITED (GB) 2004-02-26 US disclosed
WO-2003016316-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2003-02-27 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 (5 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-20050032777-A1 Diazacycloalkanes as oxytocin agonists OXTR, GNRHR, KISS1R AVPR1A 8/4885AVPR1B 11/4885AVPR2 15/4885
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885AVPR1B 3/4885AVPR2 2/4885
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885AVPR1B 3/4885AVPR2 2/4885
US-20040235753-A1 Oxytocin agonists OXTR, GNRHR, PRLHR AVPR1A 7/4885AVPR1B 11/4885AVPR2 10/4885
US-20040038962-A1 Fused azepine derivatives and their use as antidiuretic agents AVPR2, AVPR1A, AVPR1B AVPR1A 2/4885AVPR1B 3/4885AVPR2 1/4885

“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.