SCHEMBL6522794

SCHEMBL6522794

CCOc1ccccc1S(=O)(=O)N1C(=O)C(OC(=O)N2CCN(C3CCNCC3)CC2)(c2cccnc2OCC)c2cc(C#N)ccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 15/20 0.47
GPR6 P46095 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALK Q9UM73 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
PAX8 Q06710 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33

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
SCHEMBL6522787 0.97 AVPR1B (0.51) AVPR1BCYP3A4PAX8OXTRAVPR1A
SCHEMBL6521792 0.95 AVPR1B (0.47) AVPR1BGPR6CYP3A4ALKHCRTR1
SCHEMBL6526350 0.94 AVPR1B (0.47) AVPR1BGPR6CYP3A4
SCHEMBL6517549 0.93 AVPR1B (0.47) AVPR1BGPR6CYP3A4ALKPAX8
SCHEMBL6517818 0.93 AVPR1B (0.47) AVPR1BGPR6CYP3A4HCRTR1HCRTR2
SCHEMBL6521620 0.93 AVPR1B (0.48) AVPR1BGPR6CYP3A4HCRTR1HCRTR2
SCHEMBL3228931 0.92 AVPR1B (0.43) AVPR1BGPR6CYP3A4HCRTR1HCRTR2
SCHEMBL6522525 0.92 AVPR1B (0.56) AVPR1BCYP3A4OXTRAVPR1A
SCHEMBL6520156 0.92 AVPR1B (0.46) AVPR1BGPR6CYP3A4ALKHCRTR1
SCHEMBL6522806 0.92 AVPR1B (0.46) AVPR1BGPR6CYP3A4ALKPAX8

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 2/4885GPR6 756/4885CYP3A4 3335/4885
US-20140315914-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885GPR6 756/4885CYP3A4 3335/4885
US-20110065720-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885GPR6 756/4885CYP3A4 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.