SCHEMBL79070

SCHEMBL79070

CC(C)(C)OC(=O)NC1(C#Cc2ccc(OCCCc3ccccc3)c(C#N)c2)COC(C)(C)OC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.35
AAK1 Q2M2I8 2/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
MTNR1B P49286 1/20 0.35
CTSS P25774 2/20 0.34
CTSK P43235 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ABCB1 P08183 3/20 0.33
NAMPT P43490 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
BCL2 P10415 1/20 0.32
NSD2 O96028 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL79059 0.98 ALDH1A1 (0.35) SIGMAR1AAK1S1PR1S1PR3MTNR1B
SCHEMBL81934 0.93 AAK1 (0.35) AAK1NSD2
SCHEMBL2468973 0.88 ALDH1A1 (0.45) AAK1ALDH1A1HPGD
SCHEMBL2467358 0.88 ALDH1A1 (0.45) AAK1ALDH1A1HPGD
SCHEMBL82221 0.83 S1PR1 (0.37) SIGMAR1AAK1S1PR1S1PR3MTNR1B
SCHEMBL79759 0.80 S1PR1 (0.37) SIGMAR1AAK1S1PR1S1PR3CTSS
SCHEMBL81538 0.78 ACACB (0.35) CTSSALDH1A1HPGDCTSL
SCHEMBL80341 0.76 AAK1 (0.36) AAK1NSD2SLC6A2SLC6A4CASR
SCHEMBL13851976 0.73 SMPD1 (0.33)
SCHEMBL4142861 0.72 SMPD1 (0.31)

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 SIGMAR1 2080/4885AAK1 2926/4885S1PR1 511/4885

“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.