SCHEMBL2574009

SCHEMBL2574009

CCCOC(=O)c1ccccc1-c1cn(CC2CCCCC2)c(C(C)(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TLR8 Q9NR97 1/20 0.40
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.37
CNR2 P34972 2/20 0.36
PDK2 Q15119 1/20 0.36
OPRD1 P41143 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DHODH Q02127 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35

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
SCHEMBL2572113 0.85 CNR2 (0.40) PDE4APDE4BPDE4CPDE4DTDP1
SCHEMBL3419241 0.83 TLR8 (0.39) ALDH1A1TLR8PDE4APDE4BPDE4C
SCHEMBL2569501 0.83 ALDH1A1 (0.38) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL2572002 0.77 CNR2 (0.41) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL2570248 0.77 TLR8 (0.42) ALDH1A1TLR8PDE4APDE4BPDE4C
SCHEMBL2569171 0.77 TLR8 (0.42) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL2571623 0.76 CNR2 (0.41) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL2572531 0.74 BMP1 (0.46) ALDH1A1
SCHEMBL2570398 0.74 CNR2 (0.42) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL2572007 0.74 CNR2 (0.39) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 EP disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 EP 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 (2 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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 ALDH1A1 2997/4885TLR8 462/4885CHRNB2 243/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 ALDH1A1 2997/4885TLR8 462/4885CHRNB2 243/4885

“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.