SCHEMBL181541

SCHEMBL181541

CN[C@@H]1CC[C@H](C(=O)N[C@@H](CCc2ccccc2)C(=O)N2CCC(N3C(=O)C(C)(C)c4cc(F)ccc43)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PSMB5 P28074 5/20 0.36
ALDH1A1 P00352 1/20 0.35
CCR1 P32246 1/20 0.35
CYP51A1 Q16850 1/20 0.35
CCR10 P46092 1/20 0.35
POLB P06746 1/20 0.34
MARK3 P27448 1/20 0.34
CRHR1 P34998 1/20 0.34

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
SCHEMBL181542 1.00 CCKBR (0.39) CCKBRMEN1KMT2APSMB5ALDH1A1
SCHEMBL181578 0.88 PSMB5 (0.39) CCKBRPSMB5CCR1CYP51A1CCR10
SCHEMBL181577 0.88 PSMB5 (0.39) CCKBRPSMB5CCR1CYP51A1CCR10
SCHEMBL182015 0.88 CCKBR (0.43) CCKBRMEN1KMT2APSMB5CCR1
SCHEMBL15640648 0.86 CCKBR (0.42) CCKBRMEN1KMT2APSMB5ALDH1A1
SCHEMBL15640649 0.86 CCKBR (0.42) CCKBRMEN1KMT2APSMB5ALDH1A1
SCHEMBL181877 0.86 MC4R (0.40) CCKBRMEN1KMT2APSMB5ALDH1A1
SCHEMBL181878 0.86 MC4R (0.40) CCKBRMEN1KMT2APSMB5ALDH1A1
SCHEMBL181638 0.85 KMT2A (0.39) CCKBRMEN1KMT2AALDH1A1CYP51A1
SCHEMBL181639 0.85 KMT2A (0.39) CCKBRMEN1KMT2AALDH1A1CYP51A1

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 10 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 claimed
US-8697877-B2 Oxyindole derivatives with motilin receptor agonistic activity RAQUALIA PHARMA INC. (JP) 2014-04-15 US claimed
EP-2401268-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RaQualia Pharma Inc (JP) 2012-01-04 EP claimed
US-20110312933-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-12-22 US claimed
WO-2010098145-A1 OXYINDOLE DERIVATIVES WITH MOTILIN RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2010-09-02 WO claimed
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 CCKBR 55/4885MEN1 1651/4885KMT2A 3436/4885

“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.