SCHEMBL10186394

SCHEMBL10186394

CCOC(=O)[C@H]1CC[C@@H](Oc2ccc(C(=O)NCCNC(=O)[C@H]3CC[C@H](C(=O)c4ccccc4)CC3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
CHRM5 P08912 3/20 0.45
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
CHRM1 P11229 2/20 0.44
CHRM4 P08173 1/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SLC5A7 Q9GZV3 1/20 0.42
RAB9A P51151 3/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F10 P00742 1/20 0.41

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
SCHEMBL10186052 0.92 KDM4E (0.53) KDM4ECHRM5CHRM2CHRM3CHRM1
SCHEMBL664131 0.92 KDM4E (0.53) KDM4ECHRM5CHRM2CHRM3CHRM1
SCHEMBL664132 0.92 KDM4E (0.53) KDM4ECHRM5CHRM2CHRM3CHRM1
SCHEMBL664557 0.89 ALDH1A1 (0.46) KDM4ECHRM5CHRM2CHRM3CHRM1
SCHEMBL10184513 0.89 DGAT1 (0.49) LMNAMEN1KMT2AOPRM1OPRD1
SCHEMBL10186380 0.88 MEN1 (0.48) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL10184268 0.87 CHRM1 (0.49) CHRM1POLBLMNAMEN1KMT2A
SCHEMBL10186059 0.84 KDM4E (0.46) KDM4ECHRM5CHRM2CHRM3CHRM1
SCHEMBL10184802 0.84 SIGMAR1 (0.47) KDM4ECHRM5CHRM2CHRM3CHRM1
SCHEMBL10184814 0.83 NPC1 (0.56) POLBKMT2AALDH1A1RAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 KDM4E 3060/4885CHRM5 3681/4885CHRM2 2589/4885

“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.