SCHEMBL80139

SCHEMBL80139

Cc1cccc(CCCOc2ccc(C=CC3(NC(=O)OC(C)(C)C)COC(C)(C)OC3)cc2C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.33
LPAR1 Q92633 3/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
S1PR1 P21453 2/20 0.32
GLS O94925 2/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31

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
SCHEMBL80138 1.00 AAK1 (0.33) AAK1LPAR1MAPTATMPOLB
SCHEMBL81329 0.93 S1PR1 (0.36) AAK1POLBS1PR1ALOX5PPARG
SCHEMBL81328 0.93 S1PR1 (0.36) AAK1POLBS1PR1ALOX5PPARG
SCHEMBL79783 0.93 AAK1 (0.32) AAK1S1PR1GLS
SCHEMBL79782 0.93 AAK1 (0.32) AAK1S1PR1GLS
SCHEMBL3631730 0.89 NPC1 (0.32) AAK1S1PR1PPARGPPARDPPARA
SCHEMBL86586 0.89 NPC1 (0.32) AAK1S1PR1PPARGPPARDPPARA
SCHEMBL81113 0.87 PTPN1 (0.33) AAK1POLBCYP3A4ALOX5PPARG
SCHEMBL81114 0.87 PTPN1 (0.33) AAK1POLBCYP3A4ALOX5PPARG
SCHEMBL2466667 0.86 THRA (0.42) AAK1MAPTS1PR1

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 AAK1 2926/4885LPAR1 1403/4885MAPT 2801/4885

“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.