SCHEMBL1786406

SCHEMBL1786406

CCOc1ncccc1C1(NC(=O)N2CCN(C3CCN(C(C)C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2OC)c2ccc(C#N)cc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 16/20 0.49
GPR6 P46095 2/20 0.36
CYP3A4 P08684 1/20 0.36
PAX8 Q06710 1/20 0.36
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1786588 0.98 AVPR1B (0.49) AVPR1BGPR6CYP3A4PAX8OXTR
SCHEMBL1788247 0.97 AVPR1B (0.46) AVPR1BGPR6CYP3A4PAX8
SCHEMBL1785457 0.95 AVPR1B (0.46) AVPR1BGPR6CYP3A4PAX8
SCHEMBL1788304 0.95 AVPR1B (0.51) AVPR1BCYP3A4PAX8OXTRAVPR1A
SCHEMBL1785463 0.94 AVPR1B (0.57) AVPR1BOXTRAVPR1A
SCHEMBL1786979 0.94 AVPR1B (0.51) AVPR1BGPR6CYP3A4PAX8KDM4E
SCHEMBL15911685 0.93 AVPR1B (0.54) AVPR1BCYP3A4OXTRAVPR1A
SCHEMBL1787166 0.93 AVPR1B (0.50) AVPR1BGPR6CYP3A4PAX8OXTR
SCHEMBL1786905 0.92 AVPR1B (0.51) AVPR1BGPR6CYP3A4PAX8OXTR
SCHEMBL1786564 0.92 AVPR1B (0.51) AVPR1BGPR6CYP3A4PAX8OXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815868-B2 Substituted oxindole derivatives and their use as vasopressin receptor ligands ABBOTT GMBH & CO. KG (DE) 2014-08-26 US claimed
EP-2114923-B1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS ABBOTT GMBH & CO KG (DE) 2014-08-06 EP claimed
US-20150352110-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS ABBVIE DEUTSCHLAND (DE) 2015-12-10 US disclosed
US-20140378471-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2014-12-25 US disclosed
US-8859557-B2 Substituted oxindole derivatives and their use as vasopressin receptor ligands ABBOTT GMBH & CO. KG (DE) 2014-10-14 US disclosed
US-8815868-B2 Substituted oxindole derivatives and their use as vasopressin receptor ligands ABBOTT GMBH & CO. KG (DE) 2014-08-26 US disclosed
EP-2114923-B1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS ABBOTT GMBH & CO KG (DE) 2014-08-06 EP disclosed
US-20120322809-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS AbbVie Deutschland GmbH & Co. KG (DE) 2012-12-20 US disclosed
US-20110124658-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2011-05-26 US 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 (4 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-20140378471-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885GPR6 241/4885CYP3A4 2791/4885
US-20150352110-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885GPR6 241/4885CYP3A4 2791/4885
US-20120322809-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885GPR6 241/4885CYP3A4 2791/4885
US-20110124658-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885GPR6 241/4885CYP3A4 2791/4885

“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.