SCHEMBL69077

SCHEMBL69077

CC(C)(C)OC(=O)N1CCC(NCc2ccccc2Br)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
KDM1A O60341 1/20 0.50
GPR119 Q8TDV5 5/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
STS P08842 2/20 0.47
EPHX1 P07099 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
EPHX2 P34913 1/20 0.45
USP30 Q70CQ3 1/20 0.44
NAMPT P43490 1/20 0.44
CCR8 P51685 1/20 0.43

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
SCHEMBL2604335 0.86 KDM4E (0.53) KDM4EPKMGPR119ALDH1A1NPC1
SCHEMBL31184445 0.86 KDM4E (0.53) KDM4EPKMGPR119ALDH1A1NPC1
SCHEMBL69764 0.86 MAPT (0.54) KDM4EPKMKDM1AGPR119ALDH1A1
SCHEMBL3189606 0.85 EPHX2 (0.58) KDM4EPKMGPR119ALDH1A1NPC1
SCHEMBL4200062 0.85 MEN1 (0.57) KDM4EPKMGPR119ALDH1A1NPC1
SCHEMBL5992995 0.85 EPHX2 (0.56) KDM4EPKMGPR119ALDH1A1NPC1
SCHEMBL616004 0.83 STS (0.60) KDM4EPKMGPR119ALDH1A1NPC1
SCHEMBL5532244 0.83 ACHE (0.46) KDM4EPKMGPR119ALDH1A1NPC1
SCHEMBL2102000 0.82 ALDH1A1 (0.57) KDM4EPKMKDM1AGPR119ALDH1A1
SCHEMBL5994005 0.82 STS (0.54) KDM4EPKMGPR119ALDH1A1NPC1

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 KDM4E 375/4885PKM 2569/4885KDM1A 450/4885

“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.