SCHEMBL3237003

SCHEMBL3237003

N#CC1(N2CCCC2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
CYP2B6 P20813 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
PRCP P42785 1/20 0.30
SLC6A3 Q01959 1/20 0.30
GRIN1 Q05586 1/20 0.30
KCNH2 Q12809 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
PDE4A P27815 1/20 0.30

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
SCHEMBL9853462 1.00 ALDH1A1 (0.36) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL8510561 0.97 ALDH1A1 (0.39) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL26039054 0.97 ALDH1A1 (0.39) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL9853465 0.97 ALDH1A1 (0.35) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL1742367 0.97 ALDH1A1 (0.39) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL27003067 0.97 ALDH1A1 (0.39) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL9853482 0.95 ALDH1A1 (0.37) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL1350511 0.95 ALDH1A1 (0.36) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL3240121 0.95 ALDH1A1 (0.36) ALDH1A1CTSLCTSBCTSK
Ethylene SCHEMBL9431984 0.93 ALDH1A1 (0.36) ALDH1A1GRIN2DGRIN3BCYP2B6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-11-19 US disclosed
US-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-11-19 US disclosed
US-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-11-19 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
EP-1846375-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-10-24 EP disclosed
EP-1841727-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-10 EP disclosed
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067430-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067430-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-06-29 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 (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-20090286828-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES PNMT, SLC18A2, COMT ALDH1A1 132/4885CTSL 1807/4885CTSB 2358/4885
US-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 ALDH1A1 1356/4885CTSL 2861/4885CTSB 1994/4885

“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.