SCHEMBL2888657

SCHEMBL2888657

COc1nc(Cl)ccc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2cccc3cccnc23)c2ccc(Cl)cc21

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 19/20 0.79
CYP3A4 P08684 1/20 0.54
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL2891438 0.95 AVPR1B (0.88) AVPR1BCYP3A4
SCHEMBL2890758 0.91 AVPR1B (0.78) AVPR1BCYP3A4
SCHEMBL2891385 0.89 AVPR1B (0.86) AVPR1B
SCHEMBL2885090 0.88 AVPR1B (0.75) AVPR1B
SCHEMBL2891451 0.88 AVPR1B (0.77) AVPR1B
SCHEMBL2892973 0.86 AVPR1B (0.71) AVPR1BALDH1A1ALOX15
SCHEMBL2890479 0.86 AVPR1B (0.71) AVPR1B
SCHEMBL2888888 0.86 AVPR1B (0.68) AVPR1BALDH1A1ALOX15
SCHEMBL4742340 0.86 AVPR1B (0.71) AVPR1B
SCHEMBL2890997 0.85 AVPR1B (0.75) AVPR1B

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.