SCHEMBL2572113

SCHEMBL2572113

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 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
CNR1 P21554 5/20 0.39
TRPA1 O75762 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDK2 Q15119 1/20 0.35
BRD4 O60885 1/20 0.34
KDM4C Q9H3R0 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
SCHEMBL2571039 0.91 CNR2 (0.42) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2569501 0.87 ALDH1A1 (0.38) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2574009 0.85 ALDH1A1 (0.41) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2572002 0.83 CNR2 (0.41) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2569171 0.82 TLR8 (0.42) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2571623 0.82 CNR2 (0.41) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2570285 0.82 GABRA1 (0.44) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2567553 0.82 CNR2 (0.41) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2570248 0.80 TLR8 (0.42) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2570398 0.80 CNR2 (0.42) CNR2PDE4APDE4BPDE4CPDE4D

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 CNR2 2/4885PDE4A 1363/4885PDE4B 1281/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 CNR2 2/4885PDE4A 1363/4885PDE4B 1281/4885

“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.