SCHEMBL5883769

SCHEMBL5883769

Clc1ccc(Oc2cccc(-c3nc4ccccc4n3CCC3CCCCN3)c2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 4/20 0.55
MCHR1 Q99705 3/20 0.41
SCN9A Q15858 1/20 0.40
LTA4H P09960 5/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
GRM2 Q14416 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
PDE6D O43924 1/20 0.37
CHEK2 O96017 1/20 0.37

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
SCHEMBL5883817 0.91 NPY1R (0.53) NPY1RMCHR1LTA4HTP53MAPT
SCHEMBL5883736 0.87 NPY1R (0.50) NPY1RMCHR1LTA4HTP53MAPT
SCHEMBL5883568 0.85 NPY1R (0.48) NPY1RMCHR1SCN9ALTA4HTP53
SCHEMBL5883733 0.84 NPY1R (0.58) NPY1RMCHR1LTA4HTP53MAPT
SCHEMBL5884179 0.82 NPY1R (0.57) NPY1RMCHR1TP53MAPTPDE6D
SCHEMBL5883766 0.82 HDAC1 (0.52) NPY1RMCHR1GRM2DRD2DRD3
SCHEMBL5884145 0.80 NPY1R (0.55) NPY1RMCHR1SCN9ALTA4HDRD2
SCHEMBL29056704 0.79 TP53 (0.58) NPY1RMCHR1TP53MAPTPDE6D
SCHEMBL5883779 0.78 PDE6D (0.39) SCN9AMAPTPDE6DCHEK2
SCHEMBL5883938 0.73 PTGER4 (0.59)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022714-B2 Aryl substituted benzimidazoles and their use as sodium channel blockers EURO-CELTIQUE S.A. (LU) 2006-04-04 US claimed
EP-1532119-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2005-05-25 EP claimed
US-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers PURDUE PHARMA L.P. 2004-07-08 US claimed
WO-2004011439-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2004-02-05 WO claimed
US-7022714-B2 Aryl substituted benzimidazoles and their use as sodium channel blockers EURO-CELTIQUE S.A. (LU) 2006-04-04 US disclosed
EP-1532119-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2005-05-25 EP disclosed
US-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers PURDUE PHARMA L.P. 2004-07-08 US disclosed
WO-2004011439-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2004-02-05 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-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers CACNA1S, CACNA1I, SCN1A NPY1R 2315/4885MCHR1 3807/4885SCN9A 61/4885

“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.