SCHEMBL4520146

SCHEMBL4520146

CCOc1ccccc1C1(OC(=O)N2CCN(c3ccccn3)CC2)C(=O)N(S(=O)(=O)c2cccc3cccnc23)c2ccc(C#N)cc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 14/20 0.55
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.39
FABP1 P07148 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL4510754 0.95 AVPR1B (0.54) AVPR1BKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL4505337 0.94 AVPR1B (0.55) AVPR1BKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL4513290 0.94 AVPR1B (0.57) AVPR1BGAATSHRLMNAFABP1
SCHEMBL4501396 0.92 AVPR1B (0.66) AVPR1BCYP3A4ALDH1A1GAATSHR
SCHEMBL4502606 0.90 AVPR1B (0.53) AVPR1BGAATSHRLMNAFABP1
SCHEMBL1464844 0.88 AVPR1B (0.51) AVPR1BALDH1A1GAATSHRLMNA
SCHEMBL74522 0.88 AVPR1B (0.63) AVPR1BKDM4ECYP3A4HSD17B10ALDH1A1
SCHEMBL75425 0.85 AVPR1B (0.55) AVPR1BKDM4ECYP3A4HSD17B10ALDH1A1
SCHEMBL75454 0.85 AVPR1B (0.48) AVPR1BKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL75347 0.83 AVPR1B (0.67) 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-8202870-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-06-19 US claimed
US-8202870-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-06-19 US disclosed
US-20090215790-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-08-27 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-20090215790-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof OXTR, AVPR2, AVPR1B AVPR1B 3/4885KDM4E 4326/4885CYP1A2 1037/4885

“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.