SCHEMBL180948

SCHEMBL180948

CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C(=O)N1CCC(N2C(=O)C(C)(C)c3ccccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.47
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
SCN9A Q15858 5/20 0.44
CALCRL Q16602 1/20 0.43
PABPC1 P11940 1/20 0.43
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CCKBR P32239 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 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
SCHEMBL180947 1.00 KMT2A (0.47) KMT2AMAPK1CTSSCTSKSCN9A
SCHEMBL182152 0.91 PABPC1 (0.47) KMT2AMAPK1CTSSCTSKSCN9A
SCHEMBL182153 0.91 PABPC1 (0.47) KMT2AMAPK1CTSSCTSKSCN9A
SCHEMBL181979 0.89 CCKBR (0.47) CALCRLCCKBR
SCHEMBL31163618 0.87 MAPK1 (0.45) KMT2AMAPK1ALDH1A1CCKBRITGB3
SCHEMBL182031 0.87 MAPK1 (0.45) KMT2AMAPK1ALDH1A1CCKBRITGB3
SCHEMBL182030 0.87 MAPK1 (0.45) KMT2AMAPK1ALDH1A1CCKBRITGB3
SCHEMBL181989 0.87 USP30 (0.38) KMT2AMAPK1CALCRLCCKBR
SCHEMBL181976 0.86 CCKBR (0.41) CALCRLCCKBR
SCHEMBL181977 0.86 CCKBR (0.41) CALCRLCCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401268-B1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC (JP) 2015-07-29 EP disclosed
US-8697877-B2 Oxyindole derivatives with motilin receptor agonistic activity RAQUALIA PHARMA INC. (JP) 2014-04-15 US disclosed
EP-2401268-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RaQualia Pharma Inc (JP) 2012-01-04 EP disclosed
US-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-12-22 US disclosed
WO-2010098145-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2010-09-02 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-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY GPR68, GPR88, GPR52 KMT2A 3436/4885MAPK1 337/4885CTSS 4314/4885

“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.