SCHEMBL181864

SCHEMBL181864

CC1(NC(=O)NC(CCc2ccccc2)C(=O)N2CCC(N3C(=O)C(C)(C)c4cc(F)ccc43)CC2)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.40
CYP51A1 Q16850 1/20 0.36
CCR1 P32246 2/20 0.34
CCR10 P46092 1/20 0.34
CALCRL Q16602 1/20 0.34
TACR1 P25103 1/20 0.34
F2 P00734 1/20 0.34
MARK3 P27448 2/20 0.33
PSMB5 P28074 2/20 0.33
ACE P12821 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
GNRHR P30968 1/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL181863 1.00 CCKBR (0.40) CCKBRCYP51A1CCR1CCR10CALCRL
SCHEMBL182176 0.91 CCKBR (0.42) CCKBRCCR1CCR10CALCRLTACR1
SCHEMBL182175 0.91 CCKBR (0.42) CCKBRCCR1CCR10CALCRLTACR1
SCHEMBL182015 0.87 CCKBR (0.43) CCKBRCYP51A1CCR1CCR10CALCRL
SCHEMBL181729 0.84 CCKBR (0.38) CCKBRCYP51A1CCR1CCR10CALCRL
SCHEMBL181728 0.84 CCKBR (0.38) CCKBRCYP51A1CCR1CCR10CALCRL
SCHEMBL181877 0.84 MC4R (0.40) CCKBRCYP51A1CALCRLPSMB5MEN1
SCHEMBL181878 0.84 MC4R (0.40) CCKBRCYP51A1CALCRLPSMB5MEN1
SCHEMBL185160 0.83 CCKBR (0.41) CCKBRCCR1CCR10CALCRLTACR1
SCHEMBL185159 0.83 CCKBR (0.41) CCKBRCCR1CCR10CALCRLTACR1

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 9 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
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 55/4885CYP51A1 968/4885CCR1 1404/4885

“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.