SCHEMBL5883740

SCHEMBL5883740

CC(C1CCCCN1)n1c(-c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 7/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
ESRRA P11474 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PIN1 Q13526 2/20 0.35
BRD4 O60885 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 0.92 CYP2D6 (0.42) PDE6DALDH1A1HPGDCYP2D6MAPK1
SCHEMBL5883579 0.88 OPRM1 (0.42) PDE6DALDH1A1HPGDCYP2D6MAPK1
SCHEMBL5883779 0.87 PDE6D (0.39) PDE6DALDH1A1HPGDCYP2D6MAPK1
SCHEMBL5883739 0.86 ALDH1A1 (0.46) PDE6DALDH1A1HPGDCYP2D6MAPK1
SCHEMBL5884152 0.81 PDE6D (0.47) PDE6DALDH1A1HPGDCYP2D6MAPK1
SCHEMBL5884184 0.81 PDE6D (0.46) PDE6DALDH1A1HPGDCYP2D6MAPK1
SCHEMBL5883736 0.80 NPY1R (0.50) ALDH1A1PIN1BRD4BAZ2ATP53
SCHEMBL5883946 0.74 PTGER4 (0.52)
SCHEMBL5883743 0.72 HDAC1 (0.51) HSD17B10PIN1TP53MAPTSMN1; SMN2
SCHEMBL5883817 0.71 NPY1R (0.53) HPGDCYP2D6CYP2C19PIN1TP53

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 PDE6D 3882/4885ALDH1A1 135/4885HPGD 4104/4885

“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.