SCHEMBL1786703

SCHEMBL1786703

CCOc1ccccc1S(=O)(=O)N1C(=O)C(NC(=O)N2CCC(N3CCN(CC)CC3)CC2)(c2cccnc2OCC)c2cc(C#N)ccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 14/20 0.46
GPR6 P46095 2/20 0.37
CYP3A4 P08684 1/20 0.34
PAX8 Q06710 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
ACHE P22303 1/20 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
SCHEMBL1786775 0.98 AVPR1B (0.46) AVPR1BGPR6CYP3A4PAX8GAA
SCHEMBL1785070 0.97 AVPR1B (0.50) AVPR1BGPR6CYP3A4PAX8
SCHEMBL15911661 0.95 AVPR1B (0.46) AVPR1BGPR6CYP3A4PAX8HCRTR1
SCHEMBL1787166 0.95 AVPR1B (0.50) AVPR1BGPR6CYP3A4PAX8
SCHEMBL1787364 0.94 AVPR1B (0.47) AVPR1BGPR6CYP3A4PAX8HCRTR1
SCHEMBL1784569 0.94 AVPR1B (0.48) AVPR1BGPR6CYP3A4HCRTR1HCRTR2
SCHEMBL1784473 0.93 AVPR1B (0.47) AVPR1BGPR6CYP3A4PAX8
SCHEMBL1787592 0.93 AVPR1B (0.47) AVPR1BGPR6CYP3A4PAX8HCRTR1
SCHEMBL15911693 0.93 AVPR1B (0.46) AVPR1BGPR6CYP3A4PAX8GAA
SCHEMBL1785457 0.93 AVPR1B (0.46) AVPR1BGPR6CYP3A4PAX8HCRTR1

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.