SCHEMBL181490

SCHEMBL181490

CC1(C)C(=O)N(C2CCN(C(=O)C(CCc3ccccc3)NC(=O)CN3CCCC3)CC2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.44
PSMB5 P28074 5/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
PSMB8 P28062 2/20 0.42
PSMB10 P40306 2/20 0.42
PSMB2 P49721 2/20 0.42
CCR1 P32246 1/20 0.41
CCR10 P46092 1/20 0.40
CALCRL Q16602 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ACE P12821 6/20 0.39
TMPRSS11D O60235 1/20 0.39
CTRL P40313 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL181489 1.00 CCKBR (0.44) CCKBRPSMB5NFKB1NFKB2RELA
SCHEMBL15640808 0.89 BIRC2 (0.42) CCKBRCCR1CCR10CALCRLCYP3A4
SCHEMBL15640809 0.89 BIRC2 (0.42) CCKBRCCR1CCR10CALCRLCYP3A4
SCHEMBL181907 0.89 CCKBR (0.44) CCKBRCCR1CCR10CALCRLACE
SCHEMBL181908 0.89 CCKBR (0.44) CCKBRCCR1CCR10CALCRLACE
SCHEMBL181979 0.89 CCKBR (0.47) CCKBRCCR1CCR10CALCRLACE
SCHEMBL181742 0.87 CCKBR (0.42) CCKBRCCR1CALCRLMEN1KMT2A
SCHEMBL181741 0.87 CCKBR (0.42) CCKBRCCR1CALCRLMEN1KMT2A
SCHEMBL15640842 0.87 CCKBR (0.42) CCKBRCCR1CCR10CALCRLMEN1
SCHEMBL15640841 0.87 CCKBR (0.42) CCKBRCCR1CCR10CALCRLMEN1

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 55/4885PSMB5 3024/4885NFKB1 3164/4885

“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.