SCHEMBL181736

SCHEMBL181736

CC1(C)C(=O)N(C2CCN(C(=O)[C@H](CCc3ccccc3)NC(=O)NC[C@@H]3CCCN3)CC2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.41
CALCRL Q16602 1/20 0.37
CCR1 P32246 3/20 0.36
MC4R P32245 1/20 0.35
IKBKB O14920 1/20 0.35
TACR1 P25103 1/20 0.35
ACE P12821 6/20 0.34
PPID Q08752 1/20 0.34
CCR10 P46092 1/20 0.34
ABCB11 O95342 1/20 0.34
AGTR2 P50052 1/20 0.34
PDE3A Q14432 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL181672 1.00 CCKBR (0.41) CCKBRCALCRLCCR1MC4RIKBKB
SCHEMBL181671 1.00 CCKBR (0.41) CCKBRCALCRLCCR1MC4RIKBKB
SCHEMBL182245 0.98 CCKBR (0.40) CCKBRCALCRLCCR1TACR1ACE
SCHEMBL16496013 0.98 CCKBR (0.40) CCKBRCALCRLCCR1TACR1ACE
SCHEMBL182246 0.98 CCKBR (0.40) CCKBRCALCRLCCR1TACR1ACE
SCHEMBL181729 0.92 CCKBR (0.38) CCKBRCALCRLCCR1MC4RIKBKB
SCHEMBL181728 0.92 CCKBR (0.38) CCKBRCALCRLCCR1MC4RIKBKB
SCHEMBL15640878 0.88 CCKBR (0.40) CCKBRCALCRLCCR1MC4RTACR1
SCHEMBL182056 0.88 CCKBR (0.40) CCKBRCALCRLCCR1MC4RTACR1
SCHEMBL182057 0.88 CCKBR (0.40) CCKBRCALCRLCCR1MC4RTACR1

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 55/4885CALCRL 669/4885CCR1 1404/4885

“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.