SCHEMBL181914

SCHEMBL181914

CN[C@@H](CCc1ccccc1)C(=O)N1CCC(N2C(=O)C(C)(C)c3ccccc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.42
CCR10 P46092 1/20 0.41
MARK3 P27448 1/20 0.41
ACE P12821 7/20 0.40
TACR1 P25103 1/20 0.39
CCR1 P32246 1/20 0.39
ABCB11 O95342 1/20 0.39
AGTR2 P50052 1/20 0.39
PDE3A Q14432 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL181915 1.00 CCKBR (0.42) CCKBRCCR10MARK3ACETACR1
SCHEMBL181979 0.92 CCKBR (0.47) CCKBRCCR10MARK3ACETACR1
SCHEMBL181908 0.88 CCKBR (0.44) CCKBRCCR10MARK3ACETACR1
SCHEMBL181907 0.88 CCKBR (0.44) CCKBRCCR10MARK3ACETACR1
SCHEMBL181581 0.87 CALCRL (0.41) CCKBRCCR10MARK3ACETACR1
SCHEMBL181580 0.87 CALCRL (0.41) CCKBRCCR10MARK3ACETACR1
SCHEMBL182025 0.87 CALCRL (0.41) CCKBRCCR10MARK3ACETACR1
SCHEMBL15640649 0.87 CCKBR (0.42) CCKBRCCR10MARK3ACETACR1
SCHEMBL15640648 0.87 CCKBR (0.42) CCKBRCCR10MARK3ACETACR1
SCHEMBL181749 0.87 HRH2 (0.42) MARK3TACR1TNKSPARP1

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 55/4885CCR10 1638/4885MARK3 1239/4885

“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.