SCHEMBL10185162

SCHEMBL10185162

COc1cccc(Oc2ccc(C(=O)NCCNC(=O)c3ccc(O[C@H]4CC[C@@H](C(=O)O)CC4)cc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.51
MTNR1A P48039 2/20 0.51
TRPV1 Q8NER1 1/20 0.49
PGR P06401 1/20 0.49
MMP13 P45452 1/20 0.48
CCR3 P51677 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP2 P08253 1/20 0.46
CA9 Q16790 1/20 0.46
DGAT1 O75907 3/20 0.45
EPHX2 P34913 1/20 0.45
ACSL1 P33121 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
F10 P00742 1/20 0.44

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
SCHEMBL10186147 0.90 NPC1 (0.54) CCR3CA12CA1CA2MMP2
SCHEMBL10185122 0.89 CA12 (0.56) CA12CA1CA2MMP2CA9
SCHEMBL10185047 0.88 NPC1 (0.55) DGAT1GAA
SCHEMBL10184966 0.86 ACHE (0.52) CCR3DGAT1
SCHEMBL10185255 0.86 NPC1 (0.47) CCR3CA12CA1CA2MMP2
SCHEMBL10185270 0.85 MMP13 (0.57) MMP13CA12CA1CA2MMP2
SCHEMBL10186477 0.84 ACHE (0.50) CCR3DGAT1
SCHEMBL10184403 0.84 DGAT1 (0.54) DGAT1EPHX2
SCHEMBL10185254 0.84 MAPK14 (0.50) CA12CA1CA2MMP2CA9
SCHEMBL10185608 0.84 SMN1; SMN2 (0.57) TRPV1CCR3

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 MTNR1B 592/4885MTNR1A 691/4885TRPV1 3124/4885

“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.