SCHEMBL182332

SCHEMBL182332

CN[C@@H]1CC[C@H](C(=O)NC(Cc2cccc3ccccc23)C(=O)N2CCC(N3C(=O)C(C)(C)c4ccccc43)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 5/20 0.42
CYP3A4 P08684 2/20 0.42
FNTA P49354 1/20 0.37
PGGT1B P53609 1/20 0.37
LMNA P02545 1/20 0.37
TGM2 P21980 1/20 0.35
MC4R P32245 1/20 0.35
CCKBR P32239 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 1/20 0.34
TACR1 P25103 1/20 0.34
MARK3 P27448 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
MMP9 P14780 1/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL182331 1.00 CALCRL (0.42) CALCRLCYP3A4FNTAPGGT1BLMNA
SCHEMBL181769 0.90 MC4R (0.39) MC4RMEN1KMT2AALDH1A1TACR1
SCHEMBL181770 0.90 MC4R (0.39) MC4RMEN1KMT2AALDH1A1TACR1
SCHEMBL181597 0.90 KMT2A (0.38) CALCRLCYP3A4LMNAMEN1KMT2A
SCHEMBL181596 0.90 KMT2A (0.38) CALCRLCYP3A4LMNAMEN1KMT2A
SCHEMBL181931 0.90 CYP51A1 (0.38) CALCRLCYP3A4LMNAMEN1KMT2A
SCHEMBL181932 0.90 CYP51A1 (0.38) CALCRLCYP3A4LMNAMEN1KMT2A
SCHEMBL182071 0.88 MEN1 (0.47) CALCRLCYP3A4MEN1KMT2AMMP9
SCHEMBL182070 0.88 MEN1 (0.47) CALCRLCYP3A4MEN1KMT2AMMP9
SCHEMBL181604 0.88 KMT2A (0.46) CALCRLLMNAMC4RMEN1KMT2A

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
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
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 CALCRL 669/4885CYP3A4 1536/4885FNTA 3590/4885

“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.