SCHEMBL68396

SCHEMBL68396

Cc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.59
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPC1 O15118 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
TP53 P04637 1/20 0.53
GPR119 Q8TDV5 3/20 0.53
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
EPHX1 P07099 1/20 0.48
BRD4 O60885 1/20 0.48
CNR1 P21554 1/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 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
SCHEMBL70061 0.90 ALDH1A1 (0.57) EPHX2ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL3084718 0.88 ALDH1A1 (0.55) EPHX2ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL13060185 0.88 ALDH1A1 (0.55) EPHX2ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL606031 0.86 ALDH1A1 (0.55) EPHX2ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL70137 0.85 ALDH1A1 (0.59) EPHX2ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL31203062 0.84 ALDH1A1 (0.60) EPHX2ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL3094959 0.84 ALDH1A1 (0.55) EPHX2ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL1844533 0.84 EPHX2 (0.58) EPHX2ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL19245322 0.83 ALOX15 (0.52) ALDH1A1MAPTL3MBTL1NPC1MAPK1
SCHEMBL4115820 0.82 ALDH1A1 (0.77) EPHX2ALDH1A1MAPTL3MBTL1NPC1

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
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 EPHX2 1023/4885ALDH1A1 784/4885MAPT 3456/4885

“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.