SCHEMBL3010836

SCHEMBL3010836

CCC1CN(CC23CC4CC(CC(C4)C2)C3)C(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.31
BACE1 P56817 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL3010832 1.00 EPHX2 (0.35) EPHX2KDM4EMEN1PKMKMT2A
SCHEMBL3002773 0.84 MEN1 (0.35) EPHX2KDM4EMEN1PKMKMT2A
SCHEMBL3002776 0.84 MEN1 (0.35) EPHX2KDM4EMEN1PKMKMT2A
SCHEMBL2998105 0.78 GRM2 (0.52) EPHX2MEN1KMT2AL3MBTL1MAPK1
SCHEMBL2998103 0.78 GRM2 (0.52) EPHX2MEN1KMT2AL3MBTL1MAPK1
SCHEMBL2999308 0.78 EPHX2 (0.35) EPHX2KDM4EMEN1PKMKMT2A
SCHEMBL2999302 0.78 EPHX2 (0.35) EPHX2KDM4EMEN1PKMKMT2A
SCHEMBL12356875 0.75 HSD11B1 (0.35) EPHX2ALDH1A1HTT
SCHEMBL22788173 0.75 MAPK1 (0.40) L3MBTL1MAPK1
SCHEMBL14168157 0.75 MAPK1 (0.40) L3MBTL1MAPK1

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-8835426-B2 Cyclic urea and carbamate inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-16 US disclosed
EP-2125750-B1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-05-21 EP disclosed
US-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-08-05 US disclosed
EP-2125750-A2 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2009-12-02 EP disclosed
WO-2008106128-A2 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-09-04 WO 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-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 EPHX2 1527/4885KDM4E 1377/4885MEN1 938/4885

“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.