SCHEMBL943063

SCHEMBL943063

CCc1ccc(CCOc2ccc(C(=O)O)cc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.58
RXRA P19793 2/20 0.57
RXRB P28702 1/20 0.57
CYP3A4 P08684 1/20 0.57
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
PLA2G4B P0C869 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.49
RARB P10826 4/20 0.48
HTT P42858 1/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.47
NR4A2 P43354 1/20 0.47

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
SCHEMBL943621 0.87 PPARG (0.56) PPARGRXRACYP3A4SMN1; SMN2ALDH1A1
SCHEMBL1162595 0.85 LMNA (0.63) PPARGRXRACYP3A4
SCHEMBL4325068 0.83 PPARG (0.55) PPARGRXRACYP3A4
Oxalic Acid SCHEMBL5167729 0.82 HPGD (0.57) PPARGRXRACYP3A4SMN1; SMN2ALDH1A1
SCHEMBL7905734 0.82 PPARG (0.54) PPARGRXRACYP3A4NPC1RAB9A
SCHEMBL5822018 0.82 PPARG (0.54) PPARGRXRARXRBCYP3A4NPC1
SCHEMBL7905732 0.82 PPARG (0.54) PPARGRXRACYP3A4NPC1RAB9A
SCHEMBL10699030 0.81 PPARG (0.57) PPARGRXRACYP3A4SMN1; SMN2ALDH1A1
SCHEMBL18015059 0.81 PPARG (0.57) PPARGRXRACYP3A4SMN1; SMN2ALDH1A1
SCHEMBL1199906 0.81 PPARG (0.53) PPARGRXRACYP3A4ALDH1A1

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 4 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 disclosed
US-20110003856-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
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 PPARG 1084/4885RXRA 2871/4885RXRB 2914/4885
US-20110003852-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD3B1, HSD17B1 PPARG 1084/4885RXRA 2871/4885RXRB 2914/4885

“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.