SCHEMBL4089068

SCHEMBL4089068

C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](NC(=O)O)c1cc(F)c(F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
MAPK1 P28482 1/20 0.33
TP53 P04637 2/20 0.32
ANPEP P15144 2/20 0.32
PTGS1 P23219 4/20 0.32
PTGS2 P35354 2/20 0.32
FABP2 P12104 1/20 0.32
TSHR P16473 1/20 0.32
AKR1C4 P17516 1/20 0.32
ADRA2B P18089 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2C P28335 1/20 0.32
DRD3 P35462 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 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
SCHEMBL3627226 0.89 S1PR3 (0.38) LMNAHTTMAPK1TSHRMAPT
SCHEMBL4089272 0.88 TRPM8 (0.32) LMNAKMT2AMEN1SMN1; SMN2HTT
SCHEMBL4088420 0.82 PTGS1 (0.31) LMNAKMT2AMEN1PTGS1PTGS2
SCHEMBL3626801 0.82 PDPK1 (0.32) KMT2AMEN1SMN1; SMN2
SCHEMBL3626795 0.82 PDPK1 (0.32) KMT2AMEN1SMN1; SMN2
SCHEMBL3627770 0.78 TACR1 (0.35) TRPM8
SCHEMBL8892064 0.71 PTGS2 (0.35) KMT2APTGS1PTGS2CYP1A2CYP2C9
SCHEMBL5873085 0.71 PTGS2 (0.35) KMT2APTGS1PTGS2CYP1A2CYP2C9
SCHEMBL4083061 0.71 CES2 (0.43) LMNAKMT2AMEN1SMN1; SMN2HTT
SCHEMBL4085458 0.71 CES2 (0.43) LMNAKMT2AMEN1SMN1; SMN2HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 US disclosed
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP disclosed
EP-1953154-A1 MORPHOLINE TYPE CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117798-A1 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (2 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-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 LMNA 863/4885KMT2A 2733/4885MEN1 235/4885
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 LMNA 2611/4885KMT2A 3340/4885MEN1 498/4885

“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.