SCHEMBL1874807

SCHEMBL1874807

CCOc1ncccc1C1(Nc2ccc(N3CCN(C)CC3)cc2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2)c2ccc(I)cc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 17/20 0.47
CYP3A4 P08684 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
FGFR4 P22455 1/20 0.39
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 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
SCHEMBL1876794 0.92 AVPR1B (0.52) AVPR1BCYP3A4
SCHEMBL1872118 0.91 AVPR1B (0.43) AVPR1BCYP3A4
SCHEMBL1880086 0.91 AVPR1B (0.59) AVPR1B
SCHEMBL1871048 0.90 AVPR1B (0.45) AVPR1BCYP3A4LMNAMAPTRECQL
SCHEMBL1881064 0.90 GAA (0.40) AVPR1BCYP3A4LMNAMAPTFGFR4
SCHEMBL1876967 0.87 AVPR1B (0.43) AVPR1BCYP3A4
SCHEMBL1875151 0.87 AVPR1B (0.43) AVPR1BCYP3A4LMNAMAPTRECQL
SCHEMBL1872959 0.87 AVPR1B (0.43) AVPR1BCYP3A4LMNAMAPTRECQL
SCHEMBL1876402 0.86 AVPR1B (0.48) AVPR1BCYP3A4LMNAMAPTRECQL
SCHEMBL1879758 0.85 AVPR1B (0.39) 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 10 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
EP-2227463-A1 SUBSTITUTED OXINDOLE-DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES Abbott GmbH & Co. KG (DE) 2010-09-15 EP disclosed
WO-2009083559-A1 SUBSTITUTED OXINDOLE-DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES ABBOTT GMBH & CO. KG (DE) 2009-07-09 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-20140303138-A1 SUBSTITUTED OXINDOLE-DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885CYP3A4 1566/4885LMNA 3614/4885
US-20110105454-A1 SUBSTITUTED OXINDOLE-DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT ILLNESSES AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885CYP3A4 1566/4885LMNA 3614/4885

“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.