SCHEMBL10186451

SCHEMBL10186451

O=C(NCCNC(=O)c1oc(-c2ccccc2)nc1C(F)(F)F)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 1/20 0.50
DGAT1 O75907 15/20 0.49
GCGR P47871 1/20 0.41
FAAH O00519 2/20 0.40
EPHX2 P34913 2/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL13117504 0.86 DGAT1 (0.50) ACSL1DGAT1GCGRFAAHEPHX2
SCHEMBL10185420 0.86 DGAT1 (0.66) ACSL1DGAT1
SCHEMBL13117505 0.83 DGAT1 (0.46) DGAT1
SCHEMBL10186138 0.79 EPHX2 (0.53) DGAT1GCGRFAAHEPHX2
SCHEMBL664113 0.79 DGAT1 (0.56) DGAT1RAB9A
SCHEMBL10184323 0.79 DGAT1 (0.56) DGAT1RAB9A
SCHEMBL664114 0.79 DGAT1 (0.56) DGAT1RAB9A
SCHEMBL10184403 0.78 DGAT1 (0.54) DGAT1FAAHEPHX2
SCHEMBL10186156 0.76 NPC1 (0.52) DGAT1GCGRFAAHEPHX2RAB9A
SCHEMBL10185053 0.76 MLYCD (0.49) DGAT1FAAHEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US 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 ACSL1 508/4885DGAT1 1/4885GCGR 194/4885

“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.