SCHEMBL1872811

SCHEMBL1872811

CCOc1ncccc1C1(NCc2ccc(N3CCN(C)CC3)cc2)C(=O)N(S(=O)(=O)c2ccc(Cl)cc2)c2ccc(C#N)cc21

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 18/20 0.51
CYP3A4 P08684 2/20 0.45
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LSS P48449 1/20 0.37

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
SCHEMBL1869542 0.96 AVPR1B (0.53) AVPR1BCYP3A4GAAL3MBTL1
SCHEMBL1877194 0.94 AVPR1B (0.52) AVPR1BCYP3A4
SCHEMBL1871972 0.93 AVPR1B (0.58) AVPR1BCYP3A4
SCHEMBL1877236 0.91 AVPR1B (0.52) AVPR1BCYP3A4
SCHEMBL1877534 0.91 AVPR1B (0.51) AVPR1BCYP3A4
SCHEMBL1873861 0.91 AVPR1B (0.51) AVPR1BCYP3A4
SCHEMBL1872974 0.91 AVPR1B (0.51) AVPR1BCYP3A4
SCHEMBL1873449 0.91 AVPR1B (0.51) AVPR1BCYP3A4
SCHEMBL1871365 0.90 AVPR1B (0.57) AVPR1BCYP3A4
SCHEMBL1874938 0.88 AVPR1B (0.50) AVPR1BCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227463-B1 SUBSTITUTED OXINDOLE-DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES ABBVIE DEUTSCHLAND (DE) 2016-08-17 EP claimed
US-9238642-B2 Substituted oxindole-derivatives and the use thereof for the treatment of vasopressin-dependent illnesses AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-19 US claimed
US-8629148-B2 Substituted oxindole-derivatives and the use thereof for the treatment of vasopressin-dependent illnesses AbbVie Deutschland GmbH & Co. KG (DE) 2014-01-14 US claimed
EP-2227463-B1 SUBSTITUTED OXINDOLE-DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES ABBVIE DEUTSCHLAND (DE) 2016-08-17 EP disclosed
US-9238642-B2 Substituted oxindole-derivatives and the use thereof for the treatment of vasopressin-dependent illnesses AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-19 US disclosed
US-20140303138-A1 SUBSTITUTED OXINDOLE-DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES AbbVie Deutschland GmbH & Co. KG (DE) 2014-10-09 US disclosed
US-8629148-B2 Substituted oxindole-derivatives and the use thereof for the treatment of vasopressin-dependent illnesses AbbVie Deutschland GmbH & Co. KG (DE) 2014-01-14 US disclosed
US-20110105454-A1 SUBSTITUTED OXINDOLE-DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES ABBOTT GMBH & CO. KG (DE) 2011-05-05 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 (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-20140303138-A1 SUBSTITUTED OXINDOLE-DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885CYP3A4 1566/4885GAA 3576/4885
US-20110105454-A1 SUBSTITUTED OXINDOLE-DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885CYP3A4 1566/4885GAA 3576/4885

“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.