SCHEMBL1786699

SCHEMBL1786699

CCOc1ncccc1C1(NC(=O)N2CCN(C3CCN(C(C)C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(C#N)cc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 13/20 0.41
KMT2A Q03164 1/20 0.37
GPR6 P46095 3/20 0.35
CYP3A4 P08684 2/20 0.35
GAA P10253 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33

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
SCHEMBL1785984 0.98 AVPR1B (0.41) AVPR1BKMT2AGPR6CYP3A4GAA
SCHEMBL1787105 0.94 AVPR1B (0.46) AVPR1BGPR6CYP3A4
SCHEMBL1787797 0.94 AVPR1B (0.43) AVPR1BKMT2AGPR6CYP3A4GAA
SCHEMBL1786116 0.93 AVPR1B (0.43) AVPR1BKMT2AGPR6CYP3A4GAA
SCHEMBL1784956 0.93 AVPR1B (0.42) AVPR1BKMT2AGPR6CYP3A4GAA
SCHEMBL1788247 0.92 AVPR1B (0.46) AVPR1BGPR6CYP3A4GAA
SCHEMBL1786579 0.92 AVPR1B (0.43) AVPR1BKMT2AGPR6CYP3A4HCRTR1
SCHEMBL1788027 0.92 AVPR1B (0.43) AVPR1BKMT2AGPR6CYP3A4GAA
SCHEMBL1786273 0.92 AVPR1B (0.46) AVPR1BGPR6CYP3A4
SCHEMBL1786406 0.92 AVPR1B (0.49) AVPR1BGPR6CYP3A4

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 2/4885KMT2A 4732/4885GPR6 241/4885
US-20150352110-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885KMT2A 4732/4885GPR6 241/4885
US-20120322809-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885KMT2A 4732/4885GPR6 241/4885
US-20110124658-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885KMT2A 4732/4885GPR6 241/4885

“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.