SCHEMBL10184802

SCHEMBL10184802

CCOC(=O)[C@H]1CC[C@@H](Oc2ccc(C(=O)NCCNC(=O)C3CC3c3ccccc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
ALDH1A1 P00352 2/20 0.43
MCHR1 Q99705 1/20 0.42
CHRM5 P08912 3/20 0.42
CHRM1 P11229 2/20 0.42
CHRM4 P08173 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
LMNA P02545 1/20 0.41
TLR2 O60603 2/20 0.40
TLR1 Q15399 2/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL10185024 0.89 DGAT1 (0.47) SIGMAR1ALDH1A1MEN1KMT2AOPRM1
SCHEMBL10186052 0.87 KDM4E (0.53) ALDH1A1CHRM5CHRM1CHRM4KDM4E
SCHEMBL664132 0.87 KDM4E (0.53) ALDH1A1CHRM5CHRM1CHRM4KDM4E
SCHEMBL664131 0.87 KDM4E (0.53) ALDH1A1CHRM5CHRM1CHRM4KDM4E
SCHEMBL664557 0.87 ALDH1A1 (0.46) ALDH1A1CHRM5CHRM1CHRM4KDM4E
SCHEMBL10186394 0.84 KDM4E (0.46) ALDH1A1CHRM5CHRM1CHRM4KDM4E
SCHEMBL10186380 0.81 MEN1 (0.48) ALDH1A1POLBMEN1KMT2A
SCHEMBL10184968 0.81 NAMPT (0.42) EPHX2
SCHEMBL13117784 0.81 NAMPT (0.42) EPHX2
SCHEMBL10184954 0.81 POLB (0.48) ALDH1A1KDM4EPOLBLMNA

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 SIGMAR1 2458/4885ALDH1A1 963/4885MCHR1 2644/4885

“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.