SCHEMBL1789137

SCHEMBL1789137

CCOc1ccccc1S(=O)(=O)N1C(=O)C(NC(=O)N2CCC(C3CCNCC3)CC2)(c2cccnc2OCC)c2cc(C#N)ccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 14/20 0.48
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
GPR6 P46095 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.35
PAX8 Q06710 1/20 0.34

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
SCHEMBL1786912 0.96 AVPR1B (0.52) AVPR1BHCRTR1HCRTR2CYP3A4PAX8
SCHEMBL1787097 0.94 AVPR1B (0.48) AVPR1BHCRTR1HCRTR2GPR6GAA
SCHEMBL1784569 0.94 AVPR1B (0.48) AVPR1BHCRTR1HCRTR2GPR6GAA
SCHEMBL1787592 0.93 AVPR1B (0.47) AVPR1BHCRTR1HCRTR2GPR6GAA
SCHEMBL1786864 0.93 AVPR1B (0.47) AVPR1BHCRTR1HCRTR2GPR6GAA
SCHEMBL1786573 0.93 AVPR1B (0.47) AVPR1BHCRTR1HCRTR2GPR6GAA
SCHEMBL15911688 0.93 AVPR1B (0.47) AVPR1BHCRTR1HCRTR2GPR6GAA
SCHEMBL1786462 0.92 AVPR1B (0.57) AVPR1BCYP3A4
SCHEMBL1785523 0.92 AVPR1B (0.44) AVPR1BHCRTR1HCRTR2GPR6GAA
SCHEMBL1786625 0.91 AVPR1B (0.61) AVPR1B

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 2/4885HCRTR1 47/4885HCRTR2 20/4885
US-20150352110-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885HCRTR1 47/4885HCRTR2 20/4885
US-20120322809-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885HCRTR1 47/4885HCRTR2 20/4885
US-20110124658-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN RECEPTOR LIGANDS AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885HCRTR1 47/4885HCRTR2 20/4885

“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.