SCHEMBL16509235

SCHEMBL16509235

CCC(=O)[C@H](Cc1ccccc1C)NC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PPARG P37231 2/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ NR3C1 P04150 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CTBP2 P56545 1/20 0.37
▸ EPHX2 P34913 1/20 0.37

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
SCHEMBL27977570 0.83 PPARG (0.48) HPGDALDH1A1PPARGPPARAHTT
SCHEMBL16203412 0.83 PPARG (0.48) HPGDALDH1A1PPARGPPARAHTT
SCHEMBL10065590 0.83 PPARG (0.48) HPGDALDH1A1PPARGPPARAHTT
SCHEMBL16870511 0.83 ALDH1A1 (0.42) HPGDALDH1A1PPARGPPARAHTT
SCHEMBL15179215 0.83 ALDH1A1 (0.42) HPGDALDH1A1PPARGPPARAHTT
SCHEMBL29855148 0.83 PPARG (0.48) HPGDALDH1A1PPARGPPARAHTT
SCHEMBL14464228 0.83 EPHX2 (0.47) HPGDALDH1A1PPARGPPARANR3C1
SCHEMBL7269213 0.81 ANPEP (0.47) HPGDALDH1A1LMNA
SCHEMBL27388969 0.81 OPRK1 (0.48) HPGDALDH1A1PPARGPPARAKMT2A
SCHEMBL16509275 0.80 MME (0.52) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-12-22 — — 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-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY GPR68, GPR88, GPR52 HPGD 2942/4885ALDH1A1 2947/4885PPARG 361/4885

“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.

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