SCHEMBL2568565

SCHEMBL2568565

Cc1cccc(-c2cn(CC3CCCCC3)c(C(C)(C)C)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.42
CNR2 P34972 3/20 0.40
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ICMT O60725 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
PDE10A Q9Y233 2/20 0.37
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
PDE5A O76074 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
SCHEMBL2574935 0.87 CNR2 (0.39) CNR2TP53CASP3SENP7SENP6
SCHEMBL2570586 0.87 CNR2 (0.39) CNR2RAB9ANPC1MAPTNPSR1
SCHEMBL2572164 0.85 ADORA2A (0.47) TLR8TP53RAB9ANPC1MAPT
SCHEMBL2574758 0.85 CNR2 (0.40) CNR2RAB9ANPC1BRD4GRM2
SCHEMBL2570763 0.84 CNR2 (0.43) CNR2GRM2
SCHEMBL2572325 0.84 KDM4C (0.47) CNR2PDE4DBRD4
SCHEMBL2571643 0.83 KEAP1 (0.48) CNR2CASP3SENP7SENP6RAB9A
SCHEMBL2572531 0.82 BMP1 (0.46) MAPTMEN1KMT2ABRD4
SCHEMBL2564085 0.81 TLR8 (0.42) TLR8CNR2RAB9ANPC1KDM4E
SCHEMBL2573217 0.81 CNR2 (0.43) CNR2BRD4

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 TLR8 462/4885CNR2 2/4885TP53 4457/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 TLR8 462/4885CNR2 2/4885TP53 4457/4885

“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.