SCHEMBL182138

SCHEMBL182138

CN[C@@H]1CC[C@H](C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)N2CCC(N3C(=O)C(C)(C)c4ccccc43)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.39
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MC4R P32245 8/20 0.38
CYP3A4 P08684 1/20 0.37
UGCG Q16739 1/20 0.37
CYP51A1 Q16850 2/20 0.37
PYGL P06737 1/20 0.37
CRHR1 P34998 1/20 0.37
TACR1 P25103 2/20 0.36
CCR1 P32246 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
MC1R Q01726 1/20 0.36
CALCA P06881 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
SCHEMBL182139 1.00 CTSV (0.39) CTSVCTSLCTSSCTSKMEN1
SCHEMBL181533 0.92 MC4R (0.44) MEN1KMT2AALDH1A1MC4RCYP3A4
SCHEMBL181534 0.92 MC4R (0.44) MEN1KMT2AALDH1A1MC4RCYP3A4
SCHEMBL181605 0.92 KMT2A (0.46) MEN1KMT2AALDH1A1MC4R
SCHEMBL181604 0.92 KMT2A (0.46) MEN1KMT2AALDH1A1MC4R
SCHEMBL181638 0.91 KMT2A (0.39) MEN1KMT2AALDH1A1CYP3A4CYP51A1
SCHEMBL181639 0.91 KMT2A (0.39) MEN1KMT2AALDH1A1CYP3A4CYP51A1
SCHEMBL181869 0.90 KMT2A (0.42) MEN1KMT2AALDH1A1TACR1
SCHEMBL181868 0.90 KMT2A (0.42) MEN1KMT2AALDH1A1TACR1
SCHEMBL182104 0.89 SMYD3 (0.40) MEN1KMT2AALDH1A1CYP3A4UGCG

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 CTSV 3515/4885CTSL 4163/4885CTSS 4314/4885

“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.