SCHEMBL70781

SCHEMBL70781

CC(C)(C)OC(=O)N1CCC(Nc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SCD O00767 2/20 0.51
SFRP1 Q8N474 4/20 0.50
GPR119 Q8TDV5 1/20 0.50
BRD4 O60885 1/20 0.49
IDH1 O75874 1/20 0.49
IDH2 P48735 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
EPHX2 P34913 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
EPHX1 P07099 1/20 0.47
MEN1 O00255 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
SCHEMBL70179 0.90 ALDH1A1 (0.58) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL7398227 0.89 ALDH1A1 (0.57) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL22605645 0.89 ALDH1A1 (0.52) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL377372 0.85 ALDH1A1 (0.58) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL22587956 0.85 ALDH1A1 (0.48) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL31286022 0.85 ALDH1A1 (0.48) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL1815988 0.85 POLB (0.64) NPC1MAPTRAB9AL3MBTL1SFRP1
SCHEMBL2606333 0.84 ALDH1A1 (0.59) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL70137 0.84 ALDH1A1 (0.59) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL12069062 0.84 ALDH1A1 (0.59) 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 6 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
US-7951805-B2 Heterocyclic derivatives and their use as mediators of stearoyl-CoA desaturase XENON PHARMACEUTICALS INC. (CA) 2011-05-31 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
US-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase XENON PHARMACEUTICALS INC. (CA) 2007-12-27 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 (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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ALDH1A1 784/4885NPC1 201/4885MAPT 3456/4885
US-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase SCD, SCD5, NR1H2 ALDH1A1 1442/4885NPC1 603/4885MAPT 4691/4885

“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.