SCHEMBL2567498

SCHEMBL2567498

CC(C)(C)c1nc(-c2cccc(C(C)(C)O)c2)cn1CC1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.47
PDE10A Q9Y233 1/20 0.40
NR4A2 P43354 1/20 0.39
KCNH2 Q12809 1/20 0.39
CNR1 P21554 2/20 0.36
MTOR P42345 1/20 0.36
RICTOR Q6R327 1/20 0.36
RPTOR Q8N122 1/20 0.36
MAPKAP1 Q9BPZ7 1/20 0.36
MLST8 Q9BVC4 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
SCHEMBL2569085 0.85 CNR2 (0.42) CNR2PDE10ACNR1
SCHEMBL2572586 0.85 CNR2 (0.42) CNR2PDE10ACNR1
SCHEMBL2572048 0.84 NR5A2 (0.42) CNR2PDE10ACNR1
SCHEMBL2571322 0.84 CNR2 (0.41) CNR2PDE10ACNR1
SCHEMBL2573278 0.83 CNR2 (0.41) CNR2PDE10ACNR1
SCHEMBL2572679 0.83 PDE10A (0.42) CNR2PDE10ACNR1
SCHEMBL2571612 0.83 SLC16A3 (0.49) CNR2PDE10ACNR1
SCHEMBL2573284 0.83 CNR2 (0.42) CNR2PDE10ACNR1
SCHEMBL2571693 0.83 CNR2 (0.42) CNR2PDE10ACNR1
Hydrochloric Acid SCHEMBL2575091 0.82 CNR2 (0.47) CNR2PDE10ACNR1

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 2/4885PDE10A 1451/4885NR4A2 107/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 CNR2 2/4885PDE10A 1451/4885NR4A2 107/4885

“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.