SCHEMBL182003

SCHEMBL182003

CC1(C)C(=O)N(C2CCN(C(=O)[C@@H](N)CCc3ccccc3)CC2)c2ccc(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
PARK7 Q99497 1/20 0.38
MARK3 P27448 2/20 0.38
HSD11B1 P28845 1/20 0.38
DPP4 P27487 1/20 0.36
OPRD1 P41143 1/20 0.36
DPP7 Q9UHL4 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
CCR10 P46092 1/20 0.35
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL182004 1.00 OPRK1 (0.39) OPRK1HRH2HRH1PARK7MARK3
SCHEMBL181748 0.89 HRH2 (0.42) OPRK1HRH2HRH1MARK3OPRD1
SCHEMBL182063 0.89 HRH2 (0.42) OPRK1HRH2HRH1MARK3OPRD1
SCHEMBL181749 0.89 HRH2 (0.42) OPRK1HRH2HRH1MARK3OPRD1
Hydrochloric Acid SCHEMBL181827 0.88 HRH2 (0.41) OPRK1HRH2HRH1MARK3OPRD1
Hydrochloric Acid SCHEMBL181828 0.88 HRH2 (0.41) OPRK1HRH2HRH1MARK3OPRD1
SCHEMBL182015 0.87 CCKBR (0.43) PARK7MARK3MEN1KMT2ACCR10
SCHEMBL182152 0.82 PABPC1 (0.47) HRH2HRH1KMT2A
SCHEMBL182153 0.82 PABPC1 (0.47) HRH2HRH1KMT2A
SCHEMBL181673 0.82 CCKBR (0.38) MARK3CCR10

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 OPRK1 26/4885HRH2 222/4885HRH1 347/4885

“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.