SCHEMBL181741

SCHEMBL181741

CC1(C)C(=O)N(C2CCN(C(=O)[C@H](CCc3ccccc3)NC(=O)NCCN3CCCC3)CC2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.42
CCR1 P32246 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CALCRL Q16602 1/20 0.38
CCR3 P51677 1/20 0.37
ACE P12821 6/20 0.37
PPID Q08752 1/20 0.37
EPHX2 P34913 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL181742 1.00 CCKBR (0.42) CCKBRCCR1L3MBTL1CALCRLCCR3
SCHEMBL181745 0.89 CCKBR (0.43) CCKBRCCR1CALCRLACEEPHX2
SCHEMBL181746 0.89 CCKBR (0.43) CCKBRCCR1CALCRLACEEPHX2
SCHEMBL181490 0.87 CCKBR (0.44) CCKBRCCR1CALCRLACEMEN1
SCHEMBL181489 0.87 CCKBR (0.44) CCKBRCCR1CALCRLACEMEN1
SCHEMBL182336 0.86 CCKBR (0.41) CCKBRCCR1CALCRLACEPPID
SCHEMBL182335 0.86 CCKBR (0.41) CCKBRCCR1CALCRLACEPPID
SCHEMBL181979 0.86 CCKBR (0.47) CCKBRCCR1CALCRLACE
SCHEMBL181558 0.85 CCKBR (0.43) CCKBRCCR1CALCRLACEPPID
SCHEMBL181557 0.85 CCKBR (0.43) CCKBRCCR1CALCRLACEPPID

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 55/4885CCR1 1404/4885L3MBTL1 4848/4885

“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.