SCHEMBL182095

SCHEMBL182095

CC1(C)C(=O)N(C2CCN(C(=O)C(CCc3ccccc3)NC(=O)NC3CCCNC3)CC2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 5/20 0.43
CCKBR P32239 2/20 0.41
CALCRL Q16602 1/20 0.37
ACE P12821 3/20 0.36
ABCB11 O95342 1/20 0.36
AGTR2 P50052 1/20 0.36
PDE3A Q14432 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MARK3 P27448 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 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
SCHEMBL182094 1.00 MC4R (0.43) MC4RCCKBRCALCRLACEABCB11
SCHEMBL181959 0.95 CCKBR (0.42) MC4RCCKBRCALCRLACEABCB11
SCHEMBL182109 0.95 CCKBR (0.42) MC4RCCKBRCALCRLACEABCB11
SCHEMBL181960 0.95 CCKBR (0.42) MC4RCCKBRCALCRLACEABCB11
SCHEMBL15640720 0.93 CCKBR (0.43) MC4RCCKBRCALCRLACEABCB11
SCHEMBL15640719 0.93 CCKBR (0.43) MC4RCCKBRCALCRLACEABCB11
SCHEMBL182057 0.88 CCKBR (0.40) MC4RCCKBRCALCRLACE
SCHEMBL15640878 0.88 CCKBR (0.40) MC4RCCKBRCALCRLACE
SCHEMBL182056 0.88 CCKBR (0.40) MC4RCCKBRCALCRLACE
SCHEMBL181669 0.88 MC4R (0.44) MC4RCCKBRCALCRL

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 16/4885CCKBR 55/4885CALCRL 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.