SCHEMBL76860

SCHEMBL76860

CCOc1ccccc1C1(OC(=O)N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(C#N)cc21

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 17/20 0.60
CYP3A4 P08684 2/20 0.46
SLC6A9 P48067 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL74842 0.97 AVPR1B (0.61) AVPR1BCYP3A4SLC6A9SMN1; SMN2
SCHEMBL74381 0.95 AVPR1B (0.59) AVPR1BCYP3A4SLC6A9SMN1; SMN2
SCHEMBL74212 0.93 AVPR1B (0.57) AVPR1BCYP3A4SLC6A9SMN1; SMN2
SCHEMBL4513440 0.92 AVPR1B (0.55) AVPR1BCYP3A4SLC6A9SMN1; SMN2
SCHEMBL75347 0.92 AVPR1B (0.67) AVPR1BCYP3A4
SCHEMBL74123 0.91 AVPR1B (0.59) AVPR1BCYP3A4SLC6A9SMN1; SMN2
SCHEMBL74185 0.90 AVPR1B (0.59) AVPR1BCYP3A4SLC6A9
SCHEMBL4501396 0.90 AVPR1B (0.66) AVPR1BCYP3A4
SCHEMBL74166 0.89 AVPR1B (0.67) AVPR1BCYP3A4
SCHEMBL75418 0.89 AVPR1B (0.76) 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-8129389-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-03-06 US claimed
US-20120136001-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING THE LATTER AND USE THEREOF ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-05-31 US disclosed
US-8129389-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-03-06 US disclosed
US-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof ABBOTT GMBH & CO. KG 2009-07-23 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 (2 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-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof OXTR, AVPR2, AVPR1B AVPR1B 3/4885CYP3A4 2738/4885SLC6A9 2917/4885
US-20120136001-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING THE LATTER AND USE THEREOF OXTR, AVPR2, AVPR1B AVPR1B 3/4885CYP3A4 2738/4885SLC6A9 2917/4885

“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.