SCHEMBL5206098

SCHEMBL5206098

Cc1ccc(CC2CCN(CC(=O)O)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.56
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
GRIN2C Q14957 1/20 0.54
GRIN3A Q8TCU5 1/20 0.54
FAAH O00519 1/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TMEM97 Q5BJF2 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL12342814 0.87 L3MBTL1 (0.49) OPRM1GRIN2DGRIN3BADRA1DADRA1A
SCHEMBL4023997 0.86 GRIN2B (0.66) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL5999857 0.85 MEN1 (0.64) OPRM1GRIN2DGRIN3BADRA1DADRA1A
Hydrochloric Acid SCHEMBL1373308 0.84 GRIN2D (0.64) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL15496584 0.84 GRIN2D (0.51) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL18843670 0.83 HPGD (0.46) OPRM1FAAHMEN1LMNAKMT2A
SCHEMBL5169485 0.81 FAAH (0.63) OPRM1FAAHLMNAKDM4EMAPT
SCHEMBL5206807 0.81 HIF1A (0.55) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL4576966 0.80 FAAH (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5203071 0.79 L3MBTL1 (0.48) OPRM1MEN1LMNAKMT2AHTT

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 OPRM1 39/4885GRIN2D 7/4885GRIN3B 4/4885

“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.