SCHEMBL1121587

SCHEMBL1121587

OCc1csc2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2041229 0.84 HPGD (0.39) HPGDALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL15073114 0.79 HPGD (0.47) HPGDALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL14306958 0.76 HPGD (0.45) HPGDALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL14281011 0.75 HPGD (0.38) HPGDALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL15572842 0.75 HPGD (0.38) HPGDALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL14930463 0.73 SMN1; SMN2 (0.43) HPGDALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL1200224 0.72 MAPT (0.45) HPGDSMN1; SMN2HTTLMNAMAPT
SCHEMBL14281051 0.72 HPGD (0.37) HPGDALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL10670962 0.72 SMN1; SMN2 (0.42) HPGDALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL14832181 0.71 CYP2C19 (0.40) HPGDALDH1A1L3MBTL1GAAMEN1

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
EP-1685100-B1 NOVEL 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS MERCK SHARP & DOHME (GB) 2011-02-09 EP disclosed
US-7094777-B2 5-HT2A receptor ligands MERK SHARP & DOHME LTD. 2006-08-22 US disclosed
EP-1685100-A1 NOVEL 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS Merck Sharp & Dohme Limited (GB) 2006-08-02 EP disclosed
WO-2005047246-A1 NOVEL 1, 3-DISUBSTITUTED AZETIDINE DEIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2005-05-26 WO disclosed
US-20050101586-A1 Novel 5-HT2A receptor ligands MERCK SHARP & DOHME LTD. (GB) 2005-05-12 US 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-20050101586-A1 Novel 5-HT2A receptor ligands HTR2A, HTR1A, HTR5A HPGD 1331/4885ALDH1A1 911/4885SMN1; SMN2 644/4885

“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.