SCHEMBL3228806

SCHEMBL3228806

CCOc1ncccc1C1(OC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(C#N)cc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 14/20 0.43
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
GAA P10253 1/20 0.36
GPR6 P46095 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL6524599 0.98 AVPR1B (0.42) AVPR1BKMT2ACYP3A4FNTAFNTB
SCHEMBL6523603 0.97 AVPR1B (0.43) AVPR1BKMT2ACYP3A4FNTAFNTB
SCHEMBL6522797 0.94 AVPR1B (0.42) AVPR1BKMT2ACYP3A4FNTAFNTB
SCHEMBL3265705 0.94 AVPR1B (0.43) AVPR1BKMT2ACYP3A4FNTAFNTB
SCHEMBL6521636 0.94 AVPR1B (0.49) AVPR1BCYP3A4ALDH1A1
SCHEMBL3228931 0.94 AVPR1B (0.43) AVPR1BKMT2ACYP3A4GAAGPR6
SCHEMBL6521381 0.93 AVPR1B (0.42) AVPR1BKMT2ACYP3A4GAAGPR6
SCHEMBL6517805 0.93 AVPR1B (0.42) AVPR1BKMT2ACYP3A4FNTAFNTB
SCHEMBL6523184 0.93 AVPR1B (0.43) AVPR1BKMT2ACYP3A4FNTAFNTB
SCHEMBL6520270 0.93 AVPR1B (0.45) AVPR1BKMT2ACYP3A4FNTAFNTB

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.