SCHEMBL6517780

SCHEMBL6517780

CCOc1ncccc1C1(OC(=O)N2CCC(N3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2)c2ccc(C#N)cc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 18/20 0.49
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 2/20 0.41
CHRM2 P08172 1/20 0.38

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
SCHEMBL6521636 0.97 AVPR1B (0.49) AVPR1BALDH1A1CYP3A4
SCHEMBL6524340 0.95 AVPR1B (0.47) AVPR1BALDH1A1CYP3A4CHRM2
SCHEMBL6519098 0.94 AVPR1B (0.48) AVPR1BALDH1A1CYP3A4CHRM2
SCHEMBL6517784 0.94 AVPR1B (0.49) AVPR1BALDH1A1CYP3A4CHRM2
SCHEMBL6523603 0.94 AVPR1B (0.43) AVPR1BALDH1A1CYP3A4
SCHEMBL6523826 0.93 AVPR1B (0.47) AVPR1BALDH1A1CYP3A4CHRM2
SCHEMBL6519596 0.93 AVPR1B (0.47) AVPR1BALDH1A1CYP3A4CHRM2
SCHEMBL6520690 0.93 AVPR1B (0.48) AVPR1BALDH1A1CYP3A4CHRM2
SCHEMBL6520717 0.93 AVPR1B (0.50) AVPR1BCYP3A4
SCHEMBL6517380 0.93 AVPR1B (0.49) AVPR1BALDH1A1CYP3A4

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-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

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 2/4885ALDH1A1 3653/4885CYP3A4 3335/4885
US-20140315914-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885ALDH1A1 3653/4885CYP3A4 3335/4885
US-20110065720-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885ALDH1A1 3653/4885CYP3A4 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.