SCHEMBL6001183

SCHEMBL6001183

Cc1ccc(C[C@H]2CCNC[C@@H]2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.47
PTGS1 P23219 7/20 0.38
PTGS2 P35354 6/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
MT-CO1 P00395 1/20 0.38
MT-CO2 P00403 1/20 0.38
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.35

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
SCHEMBL5974577 1.00 GBA1 (0.47) GBA1PTGS1PTGS2SLC6A2SLC6A4
SCHEMBL5974091 1.00 GBA1 (0.47) GBA1PTGS1PTGS2SLC6A2SLC6A4
SCHEMBL6001188 1.00 GBA1 (0.47) GBA1PTGS1PTGS2SLC6A2SLC6A4
SCHEMBL5974087 1.00 GBA1 (0.47) GBA1PTGS1PTGS2SLC6A2SLC6A4
SCHEMBL5974321 0.83 GBA1 (0.68) GBA1SLC6A2SLC6A4
SCHEMBL5205480 0.83 GBA1 (0.68) GBA1SLC6A2SLC6A4
SCHEMBL6001919 0.83 GBA1 (0.68) GBA1SLC6A2SLC6A4
SCHEMBL5973809 0.83 GBA1 (0.68) GBA1SLC6A2SLC6A4
SCHEMBL6001914 0.83 GBA1 (0.68) GBA1SLC6A2SLC6A4
SCHEMBL6856976 0.82 GBA1 (0.71) GBA1

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 GBA1 2386/4885PTGS1 418/4885PTGS2 506/4885

“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.