SCHEMBL1591735

SCHEMBL1591735

CCOc1ncccc1C1(OC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(Cl)cc21

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.54
OXTR P30559 7/20 0.53
AVPR1A P37288 7/20 0.53
AVPR2 P30518 3/20 0.50
GPR65 Q8IYL9 1/20 0.43

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
SCHEMBL1465038 0.95 AVPR1B (0.60) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL3798738 0.92 AVPR1B (0.55) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL3797263 0.91 AVPR1B (0.46) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL1799908 0.91 AVPR1B (0.47) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL15279963 0.91 AVPR1B (0.44) AVPR1BOXTRAVPR1AAVPR2
SCHEMBL3268114 0.91 AVPR1B (0.59) AVPR1BOXTRAVPR1AAVPR2
SCHEMBL15279950 0.91 AVPR1B (0.44) AVPR1BOXTRAVPR1AAVPR2
SCHEMBL15279946 0.91 AVPR1B (0.45) AVPR1BOXTRAVPR1AAVPR2
SCHEMBL1796992 0.89 AVPR1B (0.47) AVPR1BOXTRAVPR1AAVPR2GPR65
SCHEMBL27681618 0.89 AVPR1B (0.45) AVPR1BOXTRAVPR1AAVPR2GPR65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150158845-A1 5-HALOGEN-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR TREATING VASOPRESSIN-DEPENDENT DISEASES ABBVIE DEUTSCHLAND (DE) 2015-06-11 US disclosed
US-9023854-B2 5-halogen-substituted oxindole derivatives and use thereof for treating vasopressin-dependent diseases AbbVie Deutschland GmbH & Co. KG (DE) 2015-05-05 US disclosed
EP-2231645-B1 5-Halogen-substituted oxindole derivatives and their use in the manufacture of a medicament for the treatment of vasopressin-dependent diseases ABBOTT GMBH & CO KG (DE) 2012-10-03 EP disclosed
US-20110092516-A1 5-HALOGEN-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR TREATING VASOPRESSIN-DEPENDENT DISEASES ABBOTT GMBH & CO. KG 2011-04-21 US disclosed
EP-2231645-A2 5-HALOGEN-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR TREATING VASOPRESSINE-DEPENDENT DISEASES Abbott GmbH & Co. KG (DE) 2010-09-29 EP disclosed
WO-2009071689-A2 5-HALOGEN-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR TREATING VASOPRESSINE-DEPENDENT DISEASES ABBOTT GMBH & CO. KG (DE) 2009-06-11 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 (2 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-20110092516-A1 5-HALOGEN-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR TREATING VASOPRESSIN-DEPENDENT DISEASES AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885OXTR 4/4885AVPR1A 3/4885
US-20150158845-A1 5-HALOGEN-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR TREATING VASOPRESSIN-DEPENDENT DISEASES AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885OXTR 4/4885AVPR1A 3/4885

“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.