SCHEMBL79419

SCHEMBL79419

CC(C)(C)OC(=O)NC1(CCc2ccc(CCCC3CCCCC3)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
HPGD P15428 1/20 0.32
CEL P19835 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
NPC1L1 Q9UHC9 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CNR2 P34972 1/20 0.32
CACNA1B Q00975 1/20 0.32
GLS O94925 1/20 0.31
MOGAT2 Q3SYC2 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL86043 0.89 HPGD (0.38) HPGDGPR119NPC1RAB9AS1PR1
SCHEMBL80151 0.82 HSD17B10 (0.34) CYP3A4CYP2C19GLS
SCHEMBL80158 0.80 FFAR1 (0.37) CYP3A4CYP2C19S1PR1S1PR3
SCHEMBL79753 0.78 S1PR1 (0.35) S1PR1
SCHEMBL80658 0.78 S1PR1 (0.35) S1PR1
SCHEMBL81142 0.77 PTPN1 (0.36) HPGDCYP3A4CYP2C19S1PR1S1PR3
SCHEMBL92897 0.77 S1PR1 (0.35) CYP3A4S1PR1S1PR3
SCHEMBL79433 0.77 MEN1 (0.38) CYP3A4CYP2C19S1PR1S1PR3
SCHEMBL82318 0.77 S1PR1 (0.35) S1PR1S1PR3
SCHEMBL2467509 0.77 S1PR1 (0.49) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C EPHX2 1272/4885HPGD 2722/4885CEL 10/4885

“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.