SCHEMBL182065

SCHEMBL182065

CC1(C)C(=O)N(C2CCN(C(=O)[C@H](Cc3ccccc3F)NC(=O)[C@@H]3CCCNC3)CC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 9/20 0.46
MC5R P33032 1/20 0.44
MC3R P41968 1/20 0.44
MC1R Q01726 1/20 0.44
CYP51A1 Q16850 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CDK9 P50750 1/20 0.37
CALCRL Q16602 3/20 0.35
CYP3A4 P08684 1/20 0.35
CALCA P06881 1/20 0.35
DPP4 P27487 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
SCHEMBL182066 1.00 MC4R (0.46) MC4RMC5RMC3RMC1RCYP51A1
SCHEMBL181656 0.92 MC4R (0.53) MC4RMC5RMC3RMC1RCYP51A1
SCHEMBL181655 0.92 MC4R (0.53) MC4RMC5RMC3RMC1RCYP51A1
SCHEMBL15640564 0.91 MC4R (0.42) MC4RMC3RMC1RCYP51A1MEN1
SCHEMBL15640565 0.91 MC4R (0.42) MC4RMC3RMC1RCYP51A1MEN1
SCHEMBL181583 0.91 MC4R (0.45) MC4RMC5RMC3RMC1RMEN1
SCHEMBL181584 0.91 MC4R (0.45) MC4RMC5RMC3RMC1RMEN1
SCHEMBL182041 0.89 KMT2A (0.48) MC4RMC5RMC3RMC1RMEN1
SCHEMBL182040 0.89 KMT2A (0.48) MC4RMC5RMC3RMC1RMEN1
SCHEMBL181991 0.88 MC4R (0.45) MC4RMC5RMC3RMC1RCYP51A1

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 MC4R 16/4885MC5R 15/4885MC3R 24/4885

“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.