SCHEMBL4835894

SCHEMBL4835894

Cc1cc(C(=O)N2CCCCc3sccc32)ccc1C(N)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.45
AVPR1B P47901 9/20 0.45
AVPR2 P30518 12/20 0.43
OXTR P30559 3/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL6446583 0.83 AVPR1A (0.44) AVPR1AAVPR1BAVPR2OXTRMEN1
SCHEMBL4835899 0.79 AVPR2 (0.60) AVPR2OXTR
SCHEMBL6203310 0.72 AVPR1A (0.60) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL4835299 0.71 AVPR1A (0.54) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL4837451 0.69 AVPR1A (0.54) AVPR1AAVPR1BAVPR2OXTRMEN1
SCHEMBL6366104 0.68 AVPR2 (0.51) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6985203 0.67 AVPR1A (0.61) AVPR1AAVPR1BAVPR2OXTR
Hydrochloric Acid SCHEMBL5236127 0.67 AVPR2 (0.56) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6202295 0.66 AVPR1A (0.46) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL8797250 0.65 AVPR1A (0.80) 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 7 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
US-20050032777-A1 Diazacycloalkanes as oxytocin agonists FEERING B.V. (NL) 2005-02-10 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
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 (3 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

“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.