SCHEMBL182074

SCHEMBL182074

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
CALCRL Q16602 1/20 0.43
TSHR P16473 1/20 0.40
ADORA2A P29274 1/20 0.39
PSMB8 P28062 3/20 0.38
PSMB5 P28074 3/20 0.38
PSMB9 P28065 2/20 0.38
PSMB11 A5LHX3 1/20 0.38
PSMA7 O14818 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMA1 P25786 1/20 0.38
PSMA2 P25787 1/20 0.38
PSMA3 P25788 1/20 0.38
PSMA4 P25789 1/20 0.38
PSMA5 P28066 1/20 0.38
PSMB4 P28070 1/20 0.38
PSMB6 P28072 1/20 0.38
PSMB10 P40306 1/20 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
SCHEMBL182075 1.00 KMT2A (0.44) KMT2AALDH1A1MEN1CALCRLTSHR
SCHEMBL181605 0.92 KMT2A (0.46) KMT2AALDH1A1MEN1CALCRLLMNA
SCHEMBL181604 0.92 KMT2A (0.46) KMT2AALDH1A1MEN1CALCRLLMNA
SCHEMBL181868 0.92 KMT2A (0.42) KMT2AALDH1A1MEN1CALCRLADORA2A
SCHEMBL181869 0.92 KMT2A (0.42) KMT2AALDH1A1MEN1CALCRLADORA2A
SCHEMBL15640645 0.92 KMT2A (0.41) KMT2AALDH1A1MEN1CALCRLMAPK1
SCHEMBL15640644 0.92 KMT2A (0.41) KMT2AALDH1A1MEN1CALCRLMAPK1
SCHEMBL182099 0.91 MEN1 (0.45) KMT2AALDH1A1MEN1LMNAMAPK1
SCHEMBL182100 0.91 MEN1 (0.45) KMT2AALDH1A1MEN1LMNAMAPK1
SCHEMBL181533 0.91 MC4R (0.44) KMT2AALDH1A1MEN1

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.