SCHEMBL2569993

SCHEMBL2569993

CC(C)(C)c1nc(-c2ccccn2)cn1CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CNR2 P34972 2/20 0.41
HTR6 P50406 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HIF1A Q16665 1/20 0.37
CFTR P13569 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP19 O94966 1/20 0.36
FLT3 P36888 2/20 0.36
GSK3B P49841 1/20 0.36
NPY5R Q15761 1/20 0.36

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 0.81 CNR2 (0.41) NPC1RAB9ACNR2PDE4APDE4B
SCHEMBL2571623 0.80 CNR2 (0.41) NPC1RAB9ACNR2PDE4APDE4B
SCHEMBL2570285 0.80 GABRA1 (0.44) NPC1RAB9ACNR2PDE4APDE4B
SCHEMBL2567553 0.80 CNR2 (0.41) NPC1RAB9ACNR2PDE4APDE4B
SCHEMBL2564085 0.79 TLR8 (0.42) NPC1RAB9ACNR2HTR6ALDH1A1
SCHEMBL2569171 0.78 TLR8 (0.42) NPC1RAB9ACNR2PDE4APDE4B
SCHEMBL2570248 0.78 TLR8 (0.42) NPC1RAB9ACNR2L3MBTL1PDE4A
SCHEMBL2570511 0.77 RAB9A (0.40) NPC1RAB9ACNR2L3MBTL1PDE4A
SCHEMBL2568565 0.76 TLR8 (0.42) NPC1RAB9ACNR2PDE4APDE4B
SCHEMBL2572113 0.76 CNR2 (0.40) NPC1RAB9ACNR2L3MBTL1PDE4A

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 GPR39 43/4885NPC1 543/4885RAB9A 1616/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 GPR39 43/4885NPC1 543/4885RAB9A 1616/4885

“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.