SCHEMBL1816801

SCHEMBL1816801

O=C(NCCC1CC1)c1ccc(Cl)nc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
EGLN1 Q9GZT9 1/20 0.47
DGAT1 O75907 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
SCHEMBL3409240 0.85 L3MBTL1 (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL4007129 0.82 L3MBTL1 (0.53) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL4924387 0.80 CYP1A2 (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3404706 0.80 HDAC6 (0.55) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL4648730 0.80 HDAC6 (0.58) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL12017926 0.80 EGLN1 (0.45) EGLN1
SCHEMBL3407381 0.79 RAB9A (0.65) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL20641182 0.79 RAB9A (0.65) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL8288231 0.79 RAB9A (0.65) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL3412142 0.79 HDAC6 (0.60) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1

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-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
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 NPC1 603/4885RAB9A 1135/4885SMN1; SMN2 1204/4885

“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.