SCHEMBL70137

SCHEMBL70137

Cc1ccccc1NC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TGFBR1 P36897 1/20 0.54
BTK Q06187 1/20 0.54
BRD4 O60885 2/20 0.54
GPR119 Q8TDV5 4/20 0.53
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
EPHX1 P07099 1/20 0.50
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
CCR8 P51685 1/20 0.48
STS P08842 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL71363 0.90 ALDH1A1 (0.57) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL12069062 0.87 ALDH1A1 (0.59) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL2606333 0.87 ALDH1A1 (0.59) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL70179 0.86 ALDH1A1 (0.58) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL71088 0.86 ALDH1A1 (0.60) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL1812965 0.86 ALDH1A1 (0.58) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL69769 0.86 ALDH1A1 (0.58) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3745815 0.86 ALDH1A1 (0.58) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL377372 0.86 ALDH1A1 (0.58) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL7406814 0.86 ALDH1A1 (0.53) ALDH1A1NPC1MAPTMAPK1HTT

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 ALDH1A1 784/4885NPC1 201/4885MAPT 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.