SCHEMBL1817229

SCHEMBL1817229

Nc1ccc(N2CCC(C(=O)c3ccccc3)CC2)nn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.55
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTR2A P28223 1/20 0.46
CPB1 P15086 1/20 0.46
NR2F2 P24468 1/20 0.46
STAT3 P40763 1/20 0.46
KMT2A Q03164 3/20 0.45
MGLL Q99685 2/20 0.45
MEN1 O00255 2/20 0.45
HSD11B1 P28845 1/20 0.45
SLC18A3 Q16572 2/20 0.44
KCNH2 Q12809 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
SCHEMBL1819101 0.87 SCD (0.54) SCDALDH1A1MAPTHTR2ASTAT3
SCHEMBL26098581 0.81 MGLL (0.48) LMNAHTTMAPTKMT2AMGLL
SCHEMBL5459880 0.80 ALDH1A1 (0.48) SCDLMNAALDH1A1MAPTHTR2A
SCHEMBL18291738 0.77 MEN1 (0.71) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL16880258 0.74 LGMN (0.55) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL1813459 0.73 SCD (0.64) SCDALDH1A1MAPTHTR2AKMT2A
SCHEMBL11398586 0.73 HTR2A (0.58) LMNAALDH1A1HTR2ACPB1KMT2A
SCHEMBL1393962 0.72 KDM4E (0.43) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL5182925 0.72 SCD (0.60) SCDALDH1A1MAPTHTR2ASTAT3
SCHEMBL12832968 0.71 NPC1 (0.56) LMNAHTTALDH1A1MAPTKMT2A

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-7951805-B2 Heterocyclic derivatives and their use as mediators of stearoyl-CoA desaturase XENON PHARMACEUTICALS INC. (CA) 2011-05-31 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
CN-101084212-A Heterocyclic derivatives and their use as mediators of stearoyl-coa desaturase XENON PHARMACEUTICALS INC (CA) 2007-12-05 CN disclosed
EP-1799668-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2007-06-27 EP disclosed
WO-2006034338-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE 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-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase SCD, SCD5, NR1H2 SCD 1/4885LMNA 475/4885HTT 2478/4885

“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.