SCHEMBL72304

SCHEMBL72304

CC(C)(C)OC(=O)N1CCC(NC2C3CC4CC(C3)CC2C4)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
HSD11B1 P28845 5/20 0.53
CYP2C9 P11712 1/20 0.53
EPHX2 P34913 2/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.46
GPR119 Q8TDV5 3/20 0.44
RECQL P46063 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL743999 0.82 EPHX1 (0.65) EPHX1EPHX2ALDH1A1NPC1MAPT
SCHEMBL1001758 0.79 EPHX1 (0.75) EPHX1EPHX2ALDH1A1NPC1MAPT
SCHEMBL2380125 0.79 EPHX1 (0.70) EPHX1EPHX2ALDH1A1NPC1MAPT
SCHEMBL1001665 0.78 EPHX1 (0.78) EPHX1EPHX2ALDH1A1NPC1MAPT
SCHEMBL999863 0.78 EPHX1 (0.78) EPHX1EPHX2ALDH1A1NPC1MAPT
SCHEMBL1000428 0.77 EPHX1 (0.58) EPHX1EPHX2ALDH1A1NPC1MAPT
SCHEMBL999555 0.77 EPHX1 (0.58) EPHX1EPHX2ALDH1A1NPC1MAPT
SCHEMBL13712518 0.76 HSD11B1 (0.52) EPHX1HSD11B1CYP2C9EPHX2ALDH1A1
SCHEMBL215297 0.76 EPHX1 (0.65) EPHX1EPHX2ALDH1A1NPC1MAPT
SCHEMBL12061480 0.76 EPHX1 (0.65) EPHX1EPHX2ALDH1A1NPC1MAPT

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-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 EPHX1 1324/4885HSD11B1 708/4885CYP2C9 2849/4885

“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.