SCHEMBL2549773

SCHEMBL2549773

C[C@H](C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[C@@H]1OC(C)(C)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.44
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 5/20 0.39
CHRM4 P08173 4/20 0.39
LIPE Q05469 4/20 0.38
KMT2A Q03164 2/20 0.38
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL2246813 1.00 KCNA5 (0.44) KCNA5HTTALDH1A1LMNAMAPT
SCHEMBL2247766 0.86 CHRM2 (0.45) KCNA5EPHX2CHRM4LIPEHSD11B1
SCHEMBL2249003 0.84 CHRM4 (0.46) KCNA5HTTMAPTALOX15MAPK1
SCHEMBL3876908 0.84 CHRM4 (0.46) KCNA5HTTMAPTALOX15MAPK1
SCHEMBL2550208 0.84 CHRM4 (0.46) KCNA5HTTMAPTALOX15MAPK1
SCHEMBL11988527 0.82 CCR1 (0.43) ALDH1A1MAPTALOX15MAPK1KMT2A
SCHEMBL2244441 0.77 CHRM2 (0.46) CHRM4LIPE
SCHEMBL2245853 0.76 L3MBTL1 (0.46) HTTALDH1A1LMNAMAPTALOX15
SCHEMBL2550432 0.76 CA12 (0.46) HTTL3MBTL1KMT2AMEN1
SCHEMBL2244594 0.76 CA12 (0.46) HTTL3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US claimed

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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD KCNA5 3352/4885HTT 39/4885ALDH1A1 354/4885

“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.