SCHEMBL182099

SCHEMBL182099

CN[C@@H]1CC[C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(N3C(=O)C(C)(C)c4ccccc43)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 1/20 0.42
PABPC1 P11940 1/20 0.39
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
MC4R P32245 9/20 0.38
MC5R P33032 9/20 0.38
MC3R P41968 8/20 0.38

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
SCHEMBL182100 1.00 MEN1 (0.45) MEN1KMT2AALDH1A1PABPC1FPR1
SCHEMBL181604 0.94 KMT2A (0.46) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL181605 0.94 KMT2A (0.46) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL15640644 0.93 KMT2A (0.41) MEN1KMT2AALDH1A1MAPK1MC4R
SCHEMBL15640645 0.93 KMT2A (0.41) MEN1KMT2AALDH1A1MAPK1MC4R
SCHEMBL185369 0.93 KMT2A (0.39) MEN1KMT2AALDH1A1CYP3A4MAPK1
SCHEMBL185368 0.93 KMT2A (0.39) MEN1KMT2AALDH1A1CYP3A4MAPK1
SCHEMBL181533 0.92 MC4R (0.44) MEN1KMT2AALDH1A1CYP3A4MC4R
SCHEMBL181534 0.92 MC4R (0.44) MEN1KMT2AALDH1A1CYP3A4MC4R
SCHEMBL181639 0.92 KMT2A (0.39) MEN1KMT2AALDH1A1PABPC1CYP3A4

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 MEN1 1651/4885KMT2A 3436/4885ALDH1A1 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.