SCHEMBL3228931

SCHEMBL3228931

CCOc1ncccc1C1(OC(=O)N2CCN(C3CCNCC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(C#N)cc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 14/20 0.43
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.36
GAA P10253 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
MGLL Q99685 1/20 0.34
GPR6 P46095 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
SCHEMBL6521539 0.95 AVPR1B (0.43) AVPR1BKMT2ACYP3A4GAAHCRTR1
SCHEMBL6517380 0.94 AVPR1B (0.49) AVPR1BCYP3A4GPR6
SCHEMBL3228806 0.94 AVPR1B (0.43) AVPR1BKMT2ACYP3A4GAAHCRTR1
SCHEMBL3265705 0.93 AVPR1B (0.43) AVPR1BKMT2ACYP3A4GAAHCRTR1
SCHEMBL6522794 0.92 AVPR1B (0.47) AVPR1BCYP3A4HCRTR1HCRTR2GPR6
SCHEMBL6523603 0.92 AVPR1B (0.43) AVPR1BKMT2ACYP3A4HCRTR1HCRTR2
SCHEMBL6523933 0.92 AVPR1B (0.44) AVPR1BKMT2ACYP3A4GAAHCRTR1
SCHEMBL6522787 0.92 AVPR1B (0.51) AVPR1BCYP3A4
SCHEMBL6524599 0.92 AVPR1B (0.42) AVPR1BKMT2ACYP3A4GAAGPR6
SCHEMBL6521381 0.92 AVPR1B (0.42) AVPR1BKMT2ACYP3A4GAAHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703774-B2 Carbamate-substituted oxindole derivatives and use thereof for the treatment of vasopressin-dependent diseases AbbVie Deutschland GmbH & Co. KG (DE) 2014-04-22 US claimed
US-20160362394-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES ABBVIE DEUTSCHLAND (DE) 2016-12-15 US disclosed
US-9422264-B2 Carbamate-substituted oxindole derivatives and use thereof for the treatment of vasopressin-dependent diseases AbbVie Deutschland GmbH & Co. KG (DE) 2016-08-23 US disclosed
US-20140315914-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2014-10-23 US disclosed
US-8703774-B2 Carbamate-substituted oxindole derivatives and use thereof for the treatment of vasopressin-dependent diseases AbbVie Deutschland GmbH & Co. KG (DE) 2014-04-22 US disclosed
US-20110065720-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES ABOTT GMBH & CO KG (DE) 2011-03-17 US disclosed
WO-2010009775-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES ABBOTT GMBH & CO. KG (DE) 2010-01-28 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 (3 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-20160362394-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885KMT2A 3518/4885CYP3A4 3335/4885
US-20140315914-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885KMT2A 3518/4885CYP3A4 3335/4885
US-20110065720-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885KMT2A 3518/4885CYP3A4 3335/4885

“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.