SCHEMBL6001501

SCHEMBL6001501

Oc1ccc2[nH]c(CN3CCC(Cc4ccccc4)C(O)C3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 10/20 0.61
GRIN1 Q05586 9/20 0.61
THRB P10828 1/20 0.44
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
DRD3 P35462 3/20 0.43
DRD4 P21917 3/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.41
TSHR P16473 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
SCHEMBL6001498 1.00 GRIN2B (0.61) GRIN2BGRIN1THRBGAANPC1
SCHEMBL6001504 1.00 GRIN2B (0.61) GRIN2BGRIN1THRBGAANPC1
SCHEMBL5235290 0.90 GRIN1 (0.62) GRIN2BGRIN1THRBGAANPC1
SCHEMBL5235309 0.90 GRIN1 (0.62) GRIN2BGRIN1THRBGAANPC1
SCHEMBL5235300 0.90 GRIN1 (0.62) GRIN2BGRIN1THRBGAANPC1
SCHEMBL5237195 0.84 GRIN1 (0.84) GRIN2BGRIN1THRBGAANPC1
SCHEMBL8313749 0.82 GRIN1 (0.74) GRIN2BGRIN1GAAPKMTSHR
SCHEMBL8313723 0.76 GRIN1 (1.00) GRIN2BGRIN1THRBGAAPKM
SCHEMBL5999878 0.75 FUCA1 (0.58) NPC1CYP2D6
SCHEMBL5973803 0.75 FUCA1 (0.58) NPC1CYP2D6

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 GRIN2B 1/4885GRIN1 2/4885THRB 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.