SCHEMBL5883579

SCHEMBL5883579

CC(C1CCCCN1)n1c(-c2cccc(Oc3cccc(C(F)(F)F)c3)c2)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
TAAR1 Q96RJ0 1/20 0.37
PDE6D O43924 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C19 P33261 2/20 0.37
HPGD P15428 1/20 0.37
CYP2D6 P10635 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
SCHEMBL5883824 0.90 CYP2D6 (0.42) MAPTTAAR1PDE6DNPSR1MAPK1
SCHEMBL5883740 0.88 PDE6D (0.39) MAPTTAAR1PDE6DMAPK1ALDH1A1
SCHEMBL5883779 0.85 PDE6D (0.39) MAPTTAAR1PDE6DNPSR1MAPK1
SCHEMBL5883739 0.82 ALDH1A1 (0.46) MAPTLMNATAAR1PDE6DNPSR1
SCHEMBL5884184 0.81 PDE6D (0.46) MAPTPDE6DNPSR1MAPK1KMT2A
SCHEMBL5884152 0.79 PDE6D (0.47) MAPTLMNATAAR1PDE6DMAPK1
SCHEMBL5883568 0.79 NPY1R (0.48) OPRM1OPRD1OPRK1OPRL1ABCG2
SCHEMBL5883946 0.72 PTGER4 (0.52)
SCHEMBL5883566 0.70 LTA4H (0.52) OPRM1OPRD1OPRK1OPRL1ABCG2
SCHEMBL5407264 0.70 HTR7 (0.39) OPRM1OPRK1ABCG2LMNACYP2C19

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
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 OPRM1 370/4885OPRD1 206/4885OPRK1 290/4885

“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.