SCHEMBL6697403

SCHEMBL6697403

CC(C)(C)OC(=O)C(O)CN1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 1/20 0.38
ABCB1 P08183 3/20 0.38
ATM Q13315 1/20 0.37
HTT P42858 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
SCHEMBL5829269 0.98 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL5828933 0.98 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL4223348 0.83 USP2 (0.47) MEN1KMT2AALDH1A1L3MBTL1ABCB1
SCHEMBL485946 0.81 ANPEP (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL27768607 0.81 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL5828931 0.81 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL5829266 0.81 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL31758131 0.78 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9231379 0.77 HSD17B10 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL2959602 0.77 KMT2A (0.43) MEN1KMT2AALDH1A1MAPTHPGD

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-20040192673-A1 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM PLC (GB) 2004-09-30 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-20040192673-A1 N-aroyl cyclic amine derivatives as orexin receptor antagonists HCRTR2, HCRTR1, NPY1R MEN1 1928/4885KMT2A 1255/4885ALDH1A1 1124/4885

“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.