SCHEMBL4910883

SCHEMBL4910883

O=C(O)c1ccc(N2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
MAPK1 P28482 2/20 0.53
USP2 O75604 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
SLC6A7 Q99884 1/20 0.51
SCD O00767 2/20 0.51
HSP90AA1 P07900 1/20 0.50
MYC P01106 1/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4914141 0.89 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1USP2MEN1KMT2A
SCHEMBL4922108 0.84 MEN1 (0.53) SMN1; SMN2MAPK1USP2MEN1KMT2A
SCHEMBL4918176 0.84 KDM4E (0.53) SMN1; SMN2MAPK1USP2KDM4EHTT
SCHEMBL2760778 0.83 SCD (0.55) SMN1; SMN2MEN1KMT2AKDM4EHTT
SCHEMBL2720264 0.83 SCD (0.55) SMN1; SMN2MAPK1USP2KDM4EHTT
SCHEMBL27687623 0.81 MEN1 (0.47) MEN1KMT2ASCDPOLB
SCHEMBL2821695 0.81 HCRTR1 (0.50) SMN1; SMN2MAPK1USP2KDM4ESCD
SCHEMBL4915391 0.81 SCD (0.69) SCD
SCHEMBL1222253 0.79 SCD (0.52) SMN1; SMN2MAPK1USP2MEN1KMT2A
SCHEMBL5816215 0.78 HTT (0.48) SMN1; SMN2MAPK1USP2MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071603-B2 Contacting a source of hSCD with N-(2-Cyclopropyl-ethyl)-4-[4-(5-fluoro-2-trifluoromethyl-benzoyl)-piperazin-1-yl]-benzamide; elevated lipid levels, cardiovascular disease, diabetes, obesity, metabolic syndrome XENON PHARMACEUTICALS INC. (CA) 2011-12-06 US disclosed
US-20080188488-A1 Heterocyclic Derivatives and Their Use as Stearoyl-Coa Desaturase Inhibitors XENON PHARMACEUTICALS INC. (CA) 2008-08-07 US disclosed
CN-101084207-A Heterocyclic derivatives and their use as stearoyl-coa desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2007-12-05 CN disclosed
EP-1799664-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-06-27 EP disclosed
WO-2006034441-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2006-03-30 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-20080188488-A1 Heterocyclic Derivatives and Their Use as Stearoyl-Coa Desaturase Inhibitors SCD, SCD5, FADS2 SMN1; SMN2 1291/4885MAPK1 4164/4885USP2 3621/4885

“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.