SCHEMBL3239387

SCHEMBL3239387

N#CC1(N(Cc2ccccc2)Cc2ccccc2)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
OPRM1 P35372 2/20 0.37
HIF1A Q16665 1/20 0.37
OPRL1 P41146 1/20 0.37
TSHR P16473 1/20 0.36
CTSB P07858 1/20 0.36
CA2 P00918 1/20 0.35
AOC3 Q16853 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM1A O60341 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
MAOB P27338 1/20 0.33

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
SCHEMBL3241413 0.84 OPRM1 (0.50) ALDH1A1CTSSCTSKOPRM1HIF1A
SCHEMBL27875481 0.83 OPRM1 (0.49) ALDH1A1OPRM1HIF1AOPRL1TSHR
SCHEMBL75648 0.81 ALDH1A1 (0.44) ALDH1A1CTSSCTSKOPRM1OPRL1
SCHEMBL14690433 0.79 ALDH1A1 (0.40) ALDH1A1CTSSCTSKOPRM1OPRL1
SCHEMBL4634691 0.79 CTSS (0.41) ALDH1A1CTSSCTSKOPRM1OPRL1
SCHEMBL6858801 0.78 ALDH1A1 (0.42) ALDH1A1CTSSCTSKOPRM1TSHR
SCHEMBL5671761 0.74 OPRM1 (0.53) ALDH1A1OPRM1HIF1AOPRL1TSHR
SCHEMBL2229782 0.72 HIF1A (0.33) ALDH1A1HIF1ATSHRL3MBTL1SMN1; SMN2
SCHEMBL5794090 0.72 ALDH1A1 (0.40) ALDH1A1OPRM1OPRL1TSHRCA2
SCHEMBL16096610 0.71 ALDH1A1 (0.46) ALDH1A1CTSSCTSKOPRM1OPRL1

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 7 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-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
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS 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 (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-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 ALDH1A1 1356/4885CTSS 2250/4885CTSK 2569/4885

“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.