SCHEMBL181729

SCHEMBL181729

CC1(C)C(=O)N(C2CCN(C(=O)C(CCc3ccccc3)NC(=O)NCC3CCCN3)CC2)c2ccc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.38
CYP51A1 Q16850 1/20 0.35
CALCRL Q16602 1/20 0.35
CCR1 P32246 3/20 0.34
PSMB5 P28074 1/20 0.33
MC4R P32245 1/20 0.33
CCR10 P46092 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
IKBKB O14920 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MARK3 P27448 1/20 0.32
ACE P12821 1/20 0.32

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
SCHEMBL181728 1.00 CCKBR (0.38) CCKBRCYP51A1CALCRLCCR1PSMB5
SCHEMBL181672 0.92 CCKBR (0.41) CCKBRCALCRLCCR1MC4RCCR10
SCHEMBL181736 0.92 CCKBR (0.41) CCKBRCALCRLCCR1MC4RCCR10
SCHEMBL181671 0.92 CCKBR (0.41) CCKBRCALCRLCCR1MC4RCCR10
SCHEMBL182246 0.90 CCKBR (0.40) CCKBRCALCRLCCR1ACE
SCHEMBL16496013 0.90 CCKBR (0.40) CCKBRCALCRLCCR1ACE
SCHEMBL182245 0.90 CCKBR (0.40) CCKBRCALCRLCCR1ACE
SCHEMBL182015 0.85 CCKBR (0.43) CCKBRCYP51A1CALCRLCCR1PSMB5
SCHEMBL181863 0.84 CCKBR (0.40) CCKBRCYP51A1CALCRLCCR1PSMB5
SCHEMBL181864 0.84 CCKBR (0.40) CCKBRCYP51A1CALCRLCCR1PSMB5

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 9 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
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 55/4885CYP51A1 968/4885CALCRL 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.