SCHEMBL5202578

SCHEMBL5202578

Cc1ccc(CC2CCN(CC(=O)O)CC2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
CYP46A1 Q9Y6A2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
GBA1 P04062 1/20 0.42
PTGS1 P23219 7/20 0.41
PTGS2 P35354 6/20 0.41
MT-CO1 P00395 1/20 0.41
MT-CO2 P00403 1/20 0.41
HTT P42858 1/20 0.41
OPRM1 P35372 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL5203071 1.00 L3MBTL1 (0.48) L3MBTL1CYP46A1MEN1KMT2ALMNA
SCHEMBL5203087 1.00 L3MBTL1 (0.48) L3MBTL1CYP46A1MEN1KMT2ALMNA
SCHEMBL6001742 0.88 CYP46A1 (0.47) CYP46A1HTT
SCHEMBL6001748 0.88 CYP46A1 (0.47) CYP46A1HTT
SCHEMBL5205896 0.88 CYP46A1 (0.47) CYP46A1HTT
SCHEMBL5974743 0.82 ACHE (0.56) LMNAGBA1
SCHEMBL5974142 0.82 ACHE (0.56) LMNAGBA1
SCHEMBL5974750 0.82 ACHE (0.56) LMNAGBA1
SCHEMBL5206098 0.79 OPRM1 (0.56) MEN1KMT2ALMNAHTTOPRM1
SCHEMBL12342814 0.78 L3MBTL1 (0.49) L3MBTL1MEN1KMT2ALMNAHPGD

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
EP-1565453-A4 2- (4-BENZYL)-1-PIPERIDINYL)METHYL|BENZIMIDAZOLE-5-OL DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-10-10 EP disclosed
US-20060160853-A1 2-[(4-Benzyl)-1-piperidinyl)methyl]benzimidazole-5-ol derivatives as nr2b receptor antagonists MERCK & CO., INC. 2006-07-20 US disclosed
EP-1565453-A1 2- (4-BENZYL)-1-PIPERIDINYL)METHYL]BENZIMIDAZOLE-5-OL DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2005-08-24 EP disclosed
WO-2004048364-A1 2-[(4-BENZYL)-1-PIPERIDINYL)METHYL]BENZIMIDAZOLE-5-OL DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2004-06-10 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-20060160853-A1 2-[(4-Benzyl)-1-piperidinyl)methyl]benzimidazole-5-ol derivatives as nr2b receptor antagonists GRIN2B, GRIN1, GRIN2A L3MBTL1 2107/4885CYP46A1 4421/4885MEN1 4412/4885

“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.