SCHEMBL181638

SCHEMBL181638

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.38
CYP51A1 Q16850 1/20 0.37
TACR1 P25103 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
SCN9A Q15858 1/20 0.35
PABPC1 P11940 1/20 0.35
MAPK1 P28482 1/20 0.35
CCKBR P32239 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL181639 1.00 KMT2A (0.39) KMT2AMEN1ALDH1A1LMNACYP51A1
SCHEMBL182100 0.92 MEN1 (0.45) KMT2AMEN1ALDH1A1LMNAPABPC1
SCHEMBL182099 0.92 MEN1 (0.45) KMT2AMEN1ALDH1A1LMNAPABPC1
SCHEMBL181605 0.92 KMT2A (0.46) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL181604 0.92 KMT2A (0.46) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL182139 0.91 CTSV (0.39) KMT2AMEN1ALDH1A1CYP51A1TACR1
SCHEMBL182138 0.91 CTSV (0.39) KMT2AMEN1ALDH1A1CYP51A1TACR1
SCHEMBL182104 0.91 SMYD3 (0.40) KMT2AMEN1ALDH1A1SCN9ACYP3A4
SCHEMBL182103 0.91 SMYD3 (0.40) KMT2AMEN1ALDH1A1SCN9ACYP3A4
SCHEMBL181869 0.90 KMT2A (0.42) KMT2AMEN1ALDH1A1LMNATACR1

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 KMT2A 3436/4885MEN1 1651/4885ALDH1A1 2947/4885

“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.