SCHEMBL81518

SCHEMBL81518

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCC3CCCc4ccccc43)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
S1PR1 P21453 1/20 0.32
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
NQO2 P16083 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 0.86 HPGD (0.38) S1PR1
SCHEMBL17733332 0.83 S1PR1 (0.36) TRPV1SIGMAR1S1PR1
SCHEMBL80424 0.83 PPARG (0.38) SIGMAR1S1PR1MTNR1B
SCHEMBL80158 0.82 FFAR1 (0.37) MEN1KMT2AS1PR1
SCHEMBL80231 0.81 PPIA (0.39) MEN1KMT2AS1PR1
SCHEMBL79408 0.81 S1PR1 (0.41) S1PR1
SCHEMBL81869 0.81 S1PR1 (0.36) SMN1; SMN2KDM4ES1PR1MTNR1AMTNR1B
SCHEMBL4151811 0.81 S1PR1 (0.49) S1PR1
SCHEMBL2467509 0.81 S1PR1 (0.49) S1PR1
SCHEMBL81142 0.81 PTPN1 (0.36) KDM4EMEN1KMT2AS1PR1MTNR1B

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 TRPV1 357/4885SMN1; SMN2 3560/4885KDM4E 1233/4885

“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.