SCHEMBL74522

SCHEMBL74522

CCOc1ccccc1C1(OC(=O)N2CCN(c3ccccn3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 18/20 0.63
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL74193 0.95 AVPR1B (0.63) AVPR1BCYP3A4
SCHEMBL73400 0.94 AVPR1B (0.65) AVPR1BCYP3A4
SCHEMBL76349 0.93 AVPR1B (0.63) AVPR1BCYP3A4
SCHEMBL74502 0.93 AVPR1B (0.61) AVPR1BCYP3A4
SCHEMBL75514 0.92 AVPR1B (0.60) AVPR1BCYP3A4
SCHEMBL75418 0.91 AVPR1B (0.76) AVPR1BCYP3A4
SCHEMBL74036 0.91 AVPR1B (0.61) AVPR1B
SCHEMBL74346 0.91 AVPR1B (0.61) AVPR1BCYP3A4
SCHEMBL75786 0.90 AVPR1B (0.61) AVPR1BCYP3A4
SCHEMBL74162 0.90 AVPR1B (0.61) 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 3 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-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 (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-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof OXTR, AVPR2, AVPR1B AVPR1B 3/4885KDM4E 3956/4885ALDH1A1 1261/4885

“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.