SCHEMBL182104

SCHEMBL182104

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.40
SCN9A Q15858 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 1/20 0.37
OPRL1 P41146 1/20 0.36
CYP3A4 P08684 2/20 0.36
UGCG Q16739 2/20 0.36
CRHR1 P34998 1/20 0.36
CCR2 P41597 4/20 0.36
TEAD1 P28347 2/20 0.36
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
XIAP P98170 1/20 0.35

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
SCHEMBL182103 1.00 SMYD3 (0.40) SMYD3SCN9AKMT2AMEN1ALDH1A1
SCHEMBL185368 0.93 KMT2A (0.39) KMT2AMEN1ALDH1A1OPRL1CYP3A4
SCHEMBL185369 0.93 KMT2A (0.39) KMT2AMEN1ALDH1A1OPRL1CYP3A4
SCHEMBL181639 0.91 KMT2A (0.39) SCN9AKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL181638 0.91 KMT2A (0.39) SCN9AKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL181604 0.90 KMT2A (0.46) KMT2AMEN1ALDH1A1
SCHEMBL181605 0.90 KMT2A (0.46) KMT2AMEN1ALDH1A1
SCHEMBL182138 0.89 CTSV (0.39) KMT2AMEN1ALDH1A1CYP3A4UGCG
SCHEMBL182139 0.89 CTSV (0.39) KMT2AMEN1ALDH1A1CYP3A4UGCG
SCHEMBL181869 0.88 KMT2A (0.42) KMT2AMEN1ALDH1A1

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 SMYD3 3838/4885SCN9A 2077/4885KMT2A 3436/4885

“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.