SCHEMBL182015

SCHEMBL182015

CC1(C)C(=O)N(C2CCN(C(=O)C(CCc3ccccc3)NC(=O)O)CC2)c2ccc(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.43
CCR1 P32246 3/20 0.39
CYP51A1 Q16850 1/20 0.39
CCR10 P46092 1/20 0.39
MARK3 P27448 2/20 0.38
PSMB5 P28074 1/20 0.37
CALCRL Q16602 1/20 0.37
PARK7 Q99497 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACE P12821 2/20 0.36
ABCB11 O95342 1/20 0.36
AGTR2 P50052 1/20 0.36
PDE3A Q14432 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL182153 0.90 PABPC1 (0.47) CALCRLKMT2A
SCHEMBL182152 0.90 PABPC1 (0.47) CALCRLKMT2A
SCHEMBL181979 0.90 CCKBR (0.47) CCKBRCCR1CCR10MARK3CALCRL
SCHEMBL181578 0.89 PSMB5 (0.39) CCKBRCCR1CYP51A1CCR10MARK3
SCHEMBL181673 0.89 CCKBR (0.38) CCKBRCCR1CYP51A1CCR10MARK3
SCHEMBL181577 0.89 PSMB5 (0.39) CCKBRCCR1CYP51A1CCR10MARK3
SCHEMBL181674 0.89 CCKBR (0.38) CCKBRCCR1CYP51A1CCR10MARK3
SCHEMBL181542 0.88 CCKBR (0.39) CCKBRCCR1CYP51A1CCR10MARK3
SCHEMBL181541 0.88 CCKBR (0.39) CCKBRCCR1CYP51A1CCR10MARK3
SCHEMBL181863 0.87 CCKBR (0.40) CCKBRCCR1CYP51A1CCR10MARK3

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 CCKBR 55/4885CCR1 1404/4885CYP51A1 968/4885

“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.