SCHEMBL79200

SCHEMBL79200

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3cccc(Cl)c3)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.38
S1PR1 P21453 1/20 0.35
LPAR1 Q92633 1/20 0.35
KDM4E B2RXH2 1/20 0.34
EPHX2 P34913 1/20 0.34
AAK1 Q2M2I8 2/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
CTSL P07711 1/20 0.33
POLB P06746 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GLS O94925 1/20 0.32
CYP3A4 P08684 1/20 0.32
SCN9A Q15858 1/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL81776 0.94 S1PR1 (0.36) MRGPRX4S1PR1KDM4EAAK1PPARG
SCHEMBL80424 0.92 PPARG (0.38) S1PR1PPARGPPARDPPARAPOLB
SCHEMBL80595 0.92 FFAR4 (0.37) S1PR1KDM4ETHRATHRBFFAR4
SCHEMBL80104 0.92 S1PR1 (0.35) MRGPRX4S1PR1LPAR1AAK1PPARG
SCHEMBL79846 0.92 S1PR1 (0.35) MRGPRX4S1PR1AAK1PPARGPPARD
SCHEMBL81897 0.92 S1PR1 (0.37) MRGPRX4S1PR1AAK1PPARGPPARD
SCHEMBL80214 0.91 S1PR1 (0.35) MRGPRX4S1PR1AAK1PPARGPPARD
SCHEMBL80514 0.91 S1PR1 (0.35) MRGPRX4S1PR1AAK1PPARGPPARD
SCHEMBL81546 0.91 S1PR1 (0.36) S1PR1AAK1PPARGPPARDPPARA
SCHEMBL79272 0.90 S1PR1 (0.37) S1PR1AAK1PPARGPPARDPPARA

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 7 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

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 MRGPRX4 92/4885S1PR1 511/4885LPAR1 1403/4885

“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.