SCHEMBL946687

SCHEMBL946687

CC(C)NC(=O)N1CCC(CCOc2ccc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.45
EPHX2 P34913 3/20 0.44
HSD11B1 P28845 10/20 0.43
GPR119 Q8TDV5 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
MAPK8 P45983 1/20 0.40

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
SCHEMBL1168816 0.90 HSD11B1 (0.45) IDH1HSD11B1
SCHEMBL945291 0.89 EPHX2 (0.39) IDH1EPHX2GPR119HRH3
SCHEMBL14097623 0.88 GPR119 (0.39) IDH1EPHX2GPR119HRH3
SCHEMBL946688 0.88 MAPT (0.43) IDH1EPHX2HSD11B1
SCHEMBL945292 0.87 GPR119 (0.47) IDH1HSD11B1GPR119HRH3
SCHEMBL943004 0.85 HSD11B1 (0.44) IDH1EPHX2HSD11B1MAPK8
SCHEMBL943213 0.81 EPHX2 (0.47) EPHX2HSD11B1
SCHEMBL3773970 0.81 HSD11B1 (0.40) IDH1EPHX2HSD11B1HRH3
SCHEMBL14097603 0.80 GPR119 (0.43) GPR119HRH3
SCHEMBL238435 0.80 GPR119 (0.44) IDH1EPHX2GPR119HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003852-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC 2011-01-06 US claimed
US-20110003852-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC 2011-01-06 US disclosed
US-20110003856-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC 2011-01-06 US disclosed
US-20110003852-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC 2011-01-06 US disclosed
US-20110003852-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC 2011-01-06 US disclosed
EP-2146952-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE High Point Pharmaceuticals, LLC (US) 2010-01-27 EP disclosed
EP-2125704-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE High Point Pharmaceuticals, LLC (US) 2009-12-02 EP disclosed
WO-2008101886-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC (US) 2008-08-28 WO disclosed
WO-2008101885-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC (US) 2008-08-28 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 (2 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-20110003856-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD3B1, HSD17B1 IDH1 162/4885EPHX2 1278/4885HSD11B1 1/4885
US-20110003852-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD3B1, HSD17B1 IDH1 162/4885EPHX2 1278/4885HSD11B1 1/4885

“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.