SCHEMBL4117347

SCHEMBL4117347

O=C(Nc1cccc(C(=O)O)c1)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.81
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
HPSE Q9Y251 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CBS P35520 1/20 0.50
PAX8 Q06710 1/20 0.49
KLF5 Q13887 1/20 0.49
KMT2A Q03164 1/20 0.49
MITF O75030 1/20 0.49

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
SCHEMBL4263014 0.89 EPHX2 (0.65) EPHX2NPC1RAB9AMITF
SCHEMBL4112779 0.89 EPHX2 (1.00) EPHX2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4109697 0.86 EPHX2 (0.63) EPHX2
SCHEMBL4101592 0.86 EPHX2 (0.79) EPHX2NPC1RAB9AKMT2A
SCHEMBL30165710 0.84 EPHX2 (0.75) EPHX2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL1420825 0.84 EPHX2 (0.68) EPHX2RAB9ASMN1; SMN2KMT2A
SCHEMBL4105218 0.83 EPHX2 (0.66) EPHX2LMNA
SCHEMBL4115733 0.82 EPHX2 (0.70) EPHX2NPC1RAB9ALMNAKMT2A
SCHEMBL30165709 0.80 EPHX2 (0.76) EPHX2LMNASMN1; SMN2KMT2A
SCHEMBL4118668 0.79 EPHX2 (0.72) EPHX2NPC1RAB9ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188288-B2 2-adamantylurea derivatives as selective 11beta-HSD1 inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-29 US disclosed
US-20090227631-A1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2009-09-10 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-20090227631-A1 2-ADAMANTYLUREA DERIVATIVES AS SELECTIVE 11BETA-HSD1 INHIBITORS HSD11B1, HSD11B2, HSD17B1 EPHX2 503/4885NPC1 625/4885RAB9A 1932/4885

“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.