SCHEMBL2884940

SCHEMBL2884940

CCOc1ccc(OC)cc1C1(N2CCN(c3ccnc(C)c3)CC2)C(=O)N(S(=O)(=O)c2cccc3cccnc23)c2ccc(C#N)cc21

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 19/20 0.87
CYP3A4 P08684 2/20 0.63
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL2893410 0.98 AVPR1B (0.83) AVPR1BCYP3A4ALDH1A1ALOX15
SCHEMBL2891358 0.93 AVPR1B (0.86) AVPR1BCYP3A4ALDH1A1ALOX15
SCHEMBL2885729 0.93 AVPR1B (1.00) AVPR1BCYP3A4ALDH1A1ALOX15
SCHEMBL2891326 0.93 AVPR1B (0.87) AVPR1BCYP3A4
SCHEMBL2885190 0.93 AVPR1B (0.75) AVPR1BCYP3A4
SCHEMBL2891652 0.92 AVPR1B (0.84) AVPR1BCYP3A4ALDH1A1ALOX15
SCHEMBL2892877 0.92 AVPR1B (0.73) AVPR1BCYP3A4
SCHEMBL2893114 0.92 AVPR1B (0.83) AVPR1BCYP3A4ALDH1A1ALOX15
SCHEMBL2892483 0.91 AVPR1B (0.79) AVPR1BCYP3A4
SCHEMBL2884615 0.91 AVPR1B (0.83) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486931-B2 Substituted oxindole compounds ABBOTT GMBH & CO. KG (DE) 2013-07-16 US claimed
US-8486931-B2 Substituted oxindole compounds ABBOTT GMBH & CO. KG (DE) 2013-07-16 US disclosed
US-20100286165-A1 SUBSTITUTED OXINDOLE COMPOUNDS ABBOTT GMBH & CO. KG (DE) 2010-11-11 US disclosed
WO-2008107399-A1 SUBSTITUTED OXINDOLE COMPOUNDS ABBOTT GMBH & CO. KG (DE) 2008-09-12 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 (1 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-20100286165-A1 SUBSTITUTED OXINDOLE COMPOUNDS OXTR, AVPR2, AVPR1A AVPR1B 4/4885CYP3A4 907/4885ALDH1A1 2637/4885

“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.