SCHEMBL21345451

SCHEMBL21345451

C[C@@H]1CCN(OC(=O)c2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
USP30 Q70CQ3 2/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
SETD7 Q8WTS6 2/20 0.39
HDAC1 Q13547 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37

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
SCHEMBL19698538 1.00 KDM4E (0.43) KDM4EPKMGPR119USP30MEN1
SCHEMBL24982513 0.81 KDM4E (0.41) KDM4EPKMGPR119USP30MEN1
SCHEMBL8695092 0.81 KDM4E (0.52) KDM4EPKMGPR119USP30MEN1
SCHEMBL24896686 0.79 HSD17B10 (0.58) USP30MEN1KMT2AHSD17B10
SCHEMBL26427719 0.79 KDM4E (0.38) KDM4EPKMGPR119USP30MEN1
SCHEMBL25717306 0.78 KDM4E (0.50) KDM4EPKMGPR119USP30MEN1
SCHEMBL25628792 0.77 KDM4E (0.52) KDM4EPKMGPR119USP30MEN1
SCHEMBL24718695 0.77 USP30 (0.47) KDM4EPKMGPR119USP30MEN1
SCHEMBL26427290 0.76 KDM4E (0.46) KDM4EPKMGPR119USP30MEN1
SCHEMBL27624527 0.76 ACHE (0.58) KDM4EMEN1KMT2ACHRNB2CHRNA5

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-20190276414-A1 CHIRAL RESOLUTION OF AN INTERMEDIATE OF SUVOREXANT AND COCRYSTALS THEREOF ENANTIA, S.L. (ES) 2019-09-12 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-20190276414-A1 CHIRAL RESOLUTION OF AN INTERMEDIATE OF SUVOREXANT AND COCRYSTALS THEREOF HCRTR1, HCRTR2, GLP1R KDM4E 147/4885PKM 4232/4885GPR119 151/4885

“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.