SCHEMBL5428985

SCHEMBL5428985

C[C@H]1C[C@]1(CO)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
CACNA1H O95180 1/20 0.35
APLNR P35414 1/20 0.35
EPHX1 P07099 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
HCRTR2 O43614 1/20 0.33
EPHX2 P34913 1/20 0.33
HSD11B1 P28845 1/20 0.33
BTK Q06187 1/20 0.33

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
SCHEMBL13742611 1.00 MEN1 (0.42) MEN1MAPK1KMT2ATDP1CACNA1H
SCHEMBL8089082 1.00 MEN1 (0.42) MEN1MAPK1KMT2ATDP1CACNA1H
SCHEMBL5432123 0.85 MEN1 (0.41) MEN1MAPK1KMT2ATDP1CACNA1H
SCHEMBL13360951 0.85 KMT2A (0.41) MEN1MAPK1KMT2ATDP1CACNA1H
SCHEMBL8088306 0.82 KMT2A (0.39) MEN1MAPK1KMT2ATDP1CACNA1H
SCHEMBL13330960 0.80 MEN1 (0.38) MEN1MAPK1KMT2ATDP1CACNA1H
SCHEMBL29675255 0.80 MEN1 (0.38) MEN1MAPK1KMT2ATDP1CACNA1H
SCHEMBL3312164 0.80 MEN1 (0.38) MEN1MAPK1KMT2ATDP1CACNA1H
SCHEMBL22380433 0.80 APLNR (0.40) MEN1MAPK1KMT2ATDP1CACNA1H
SCHEMBL22482737 0.80 MEN1 (0.38) MEN1MAPK1KMT2ATDP1CACNA1H

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-20070027191-A1 Polysubstituted 1,1-pyridyloxycyclopropanamine compounds LES LABORATOIRES SERVIER (FR) 2007-02-01 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-20070027191-A1 Polysubstituted 1,1-pyridyloxycyclopropanamine compounds CHRM1, CHRNA1, CHRNA9 MEN1 2822/4885MAPK1 2352/4885KMT2A 2244/4885

“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.