SCHEMBL5239708

SCHEMBL5239708

COc1ccc2[nH]c(CN3CCC(Cc4ccccc4)CC3)nc2c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 7/20 0.71
GRIN2B Q13224 7/20 0.71
THRB P10828 1/20 0.62
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 1/20 0.54
DRD4 P21917 3/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
NPC1 O15118 1/20 0.52

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
SCHEMBL5237195 0.84 GRIN1 (0.84) GRIN1GRIN2BTHRBNPC1
SCHEMBL1388535 0.83 GRIN2B (1.00) GRIN1GRIN2BTHRBDRD4
SCHEMBL5208408 0.83 MEN1 (0.56) GRIN1GRIN2BMEN1KMT2APOLB
SCHEMBL24077252 0.81 MEN1 (0.56) GRIN1GRIN2BTHRBMEN1KMT2A
SCHEMBL30381107 0.81 MEN1 (0.56) GRIN1GRIN2BTHRBMEN1KMT2A
SCHEMBL8687575 0.81 DRD4 (0.76) DRD4LMNAMAPTTSHRNPC1
SCHEMBL10548102 0.79 THRB (0.64) GRIN1GRIN2BTHRBMEN1KMT2A
SCHEMBL18297780 0.79 DRD4 (0.57) DRD4TSHR
SCHEMBL30381638 0.79 MEN1 (0.56) GRIN1GRIN2BTHRBMEN1KMT2A
SCHEMBL24077253 0.79 MEN1 (0.56) GRIN1GRIN2BTHRBMEN1KMT2A

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 GRIN1 2/4885GRIN2B 1/4885THRB 834/4885

“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.