SCHEMBL181596

SCHEMBL181596

CN[C@@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2C)C(=O)N2CCC(N3C(=O)C(C)(C)c4ccccc43)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 5/20 0.36
CCR1 P32246 2/20 0.35
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
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
MARK3 P27448 1/20 0.33
TP53 P04637 2/20 0.33
CALCRL Q16602 2/20 0.33
POLB P06746 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
SCHEMBL181597 1.00 KMT2A (0.38) KMT2AALDH1A1MEN1CCR1CYP3A4
SCHEMBL181770 0.92 MC4R (0.39) KMT2AALDH1A1MEN1CCR1
SCHEMBL181769 0.92 MC4R (0.39) KMT2AALDH1A1MEN1CCR1
SCHEMBL181932 0.92 CYP51A1 (0.38) KMT2AALDH1A1MEN1CYP3A4CYP2D6
SCHEMBL181931 0.92 CYP51A1 (0.38) KMT2AALDH1A1MEN1CYP3A4CYP2D6
SCHEMBL182332 0.90 CALCRL (0.42) KMT2AALDH1A1MEN1CYP3A4LMNA
SCHEMBL182331 0.90 CALCRL (0.42) KMT2AALDH1A1MEN1CYP3A4LMNA
SCHEMBL181604 0.90 KMT2A (0.46) KMT2AALDH1A1MEN1LMNAMAPK1
SCHEMBL181605 0.90 KMT2A (0.46) KMT2AALDH1A1MEN1LMNAMAPK1
SCHEMBL181778 0.90 SCN9A (0.36) KMT2AALDH1A1MEN1CYP3A4CYP2D6

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 3436/4885ALDH1A1 2947/4885MEN1 1651/4885

“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.