SCHEMBL6001748

SCHEMBL6001748

O=C(O)CN1CC[C@@H](Cc2ccccc2)[C@H](O)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.47
HTT P42858 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
FUCA1 P04066 2/20 0.43
CCR3 P51677 1/20 0.42
TACR3 P29371 1/20 0.42
ACHE P22303 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6001742 1.00 CYP46A1 (0.47) CYP46A1HTTGRIN2DGRIN3BADRA1D
SCHEMBL5205896 1.00 CYP46A1 (0.47) CYP46A1HTTGRIN2DGRIN3BADRA1D
SCHEMBL5203087 0.88 L3MBTL1 (0.48) CYP46A1HTT
SCHEMBL5203071 0.88 L3MBTL1 (0.48) CYP46A1HTT
SCHEMBL5202578 0.88 L3MBTL1 (0.48) CYP46A1HTT
SCHEMBL5973803 0.84 FUCA1 (0.58) FUCA1CCR3ACHE
SCHEMBL5999883 0.84 FUCA1 (0.58) FUCA1CCR3ACHE
SCHEMBL5974407 0.84 FUCA1 (0.58) FUCA1CCR3ACHE
SCHEMBL5999878 0.84 FUCA1 (0.58) FUCA1CCR3ACHE
SCHEMBL5974411 0.84 FUCA1 (0.58) FUCA1CCR3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CYP46A1 4421/4885HTT 1551/4885GRIN2D 7/4885

“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.