SCHEMBL2567553

SCHEMBL2567553

CC(C)(C)c1nc(-c2ccccc2Br)cn1CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.41
GRM2 Q14416 3/20 0.40
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
CYP1B1 Q16678 2/20 0.36
CNR1 P21554 2/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GABRA1 P14867 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL2572002 0.87 CNR2 (0.41) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2570285 0.86 GABRA1 (0.44) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2571623 0.86 CNR2 (0.41) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2570248 0.84 TLR8 (0.42) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2569171 0.84 TLR8 (0.42) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2571039 0.82 CNR2 (0.42) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2572113 0.82 CNR2 (0.40) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2570398 0.81 CNR2 (0.42) CNR2GRM2PDE4APDE4BPDE4C
SCHEMBL2570511 0.81 RAB9A (0.40) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL2569347 0.80 CNR1 (0.37) 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 4 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

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 2/4885GRM2 319/4885PDE4A 1363/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 CNR2 2/4885GRM2 319/4885PDE4A 1363/4885

“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.