SCHEMBL79759

SCHEMBL79759

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCCc3ccccc3)c(C#N)c2)COC(C)(C)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PGGT1B P53609 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CASR P41180 2/20 0.36
HPGD P15428 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
AAK1 Q2M2I8 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 1/20 0.35
PTPN1 P18031 1/20 0.34
CYP2D6 P10635 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
PDE4A P27815 1/20 0.33

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
SCHEMBL82221 0.98 S1PR1 (0.37) S1PR1S1PR3FNTAFNTBPGGT1B
SCHEMBL80341 0.91 AAK1 (0.36) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2462462 0.90 ALDH1A1 (0.45) ALDH1A1HPGDAAK1
SCHEMBL16140753 0.90 ALDH1A1 (0.45) ALDH1A1HPGDAAK1
SCHEMBL2463686 0.90 ALDH1A1 (0.45) ALDH1A1HPGDAAK1
SCHEMBL17733226 0.85 MTNR1B (0.39) S1PR1CTSKSIGMAR1GLS
SCHEMBL80424 0.84 PPARG (0.38) S1PR1S1PR3SIGMAR1
SCHEMBL79059 0.83 ALDH1A1 (0.35) S1PR1S1PR3FNTAFNTBPGGT1B
SCHEMBL79991 0.81 AAK1 (0.39) S1PR1AAK1CTSSCTSK
SCHEMBL79408 0.80 S1PR1 (0.41) S1PR1S1PR3AAK1

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 8 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-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US 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
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 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 S1PR1 511/4885S1PR3 821/4885FNTA 3345/4885

“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.