SCHEMBL6001989

SCHEMBL6001989

COc1ccc2nc(N3CCC(Cc4ccccc4)CC3)[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 2/20 0.56
TP53 P04637 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPY5R Q15761 1/20 0.52
CYP2E1 P05181 2/20 0.50
CYP2C8 P10632 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2B6 P20813 2/20 0.50
CYP2C19 P33261 2/20 0.50
GRIN1 Q05586 1/20 0.49
GRIN2B Q13224 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TRPC3 Q13507 1/20 0.47

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
SCHEMBL5208408 0.91 MEN1 (0.56) GFERNPSR1MEN1KMT2ANPC1
SCHEMBL4427814 0.86 MEN1 (0.55) NPSR1MEN1KMT2ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL11577475 0.85 MEN1 (0.54) GFERNPSR1MEN1KMT2ATP53
SCHEMBL4436265 0.82 GRIN2B (0.65) TP53RAB9AGRIN1GRIN2BTRPC3
SCHEMBL5372873 0.79 CHEK2 (0.57) NPY5RGRIN1GRIN2B
SCHEMBL5374168 0.78 MEN1 (0.55) MEN1KMT2ANPC1TP53CYP2C9
SCHEMBL5374164 0.78 MEN1 (0.55) MEN1KMT2ANPC1TP53CYP2C9
SCHEMBL19058671 0.77 HDAC6 (0.62) GRIN1GRIN2B
SCHEMBL5239708 0.74 GRIN1 (0.71) MEN1KMT2ANPC1GRIN1GRIN2B
SCHEMBL5262646 0.74 MEN1 (0.54) NPSR1MEN1KMT2ANPC1SMN1; SMN2

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 GFER 3943/4885NPSR1 193/4885MEN1 4412/4885

“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.