SCHEMBL182175

SCHEMBL182175

CC1(NC(=O)N[C@@H](CCc2ccccc2)C(=O)N2CCC(N3C(=O)C(C)(C)c4ccccc43)CC2)CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.42
TACR1 P25103 2/20 0.37
CALCRL Q16602 1/20 0.37
F2 P00734 1/20 0.36
ACE P12821 4/20 0.36
CCR1 P32246 1/20 0.35
CCR10 P46092 1/20 0.35
ABCB11 O95342 1/20 0.35
AGTR2 P50052 1/20 0.35
PDE3A Q14432 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MARK3 P27448 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TACR2 P21452 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
SCHEMBL182176 1.00 CCKBR (0.42) CCKBRTACR1CALCRLF2ACE
SCHEMBL185160 0.92 CCKBR (0.41) CCKBRTACR1CALCRLF2ACE
SCHEMBL185159 0.92 CCKBR (0.41) CCKBRTACR1CALCRLF2ACE
SCHEMBL181988 0.92 CCKBR (0.43) CCKBRTACR1CALCRLACECCR1
SCHEMBL181987 0.92 CCKBR (0.43) CCKBRTACR1CALCRLACECCR1
SCHEMBL181864 0.91 CCKBR (0.40) CCKBRTACR1CALCRLF2ACE
SCHEMBL181863 0.91 CCKBR (0.40) CCKBRTACR1CALCRLF2ACE
SCHEMBL181676 0.87 CCKBR (0.44) CCKBRTACR1CALCRLF2CCR1
SCHEMBL181677 0.87 CCKBR (0.44) CCKBRTACR1CALCRLF2CCR1
SCHEMBL15640895 0.86 MC4R (0.43) CCR1CYP3A4

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 55/4885TACR1 101/4885CALCRL 669/4885

“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.