SCHEMBL2568600

SCHEMBL2568600

CC(C)(C)c1nc(-c2c(Cl)cccc2Cl)cn1CC1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.49
CNR1 P21554 15/20 0.42
KCNH2 Q12809 11/20 0.42
CYP1A1 P04798 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2568534 0.88 CNR2 (0.47) CNR2CNR1KCNH2CYP1A1CYP2C8
SCHEMBL2567266 0.82 BRD4 (0.43) CNR2CNR1
SCHEMBL2573554 0.82 CNR2 (0.43) CNR2CNR1
SCHEMBL2572300 0.81 CNR2 (0.43) CNR2CNR1KCNH2
SCHEMBL2571603 0.81 CNR2 (0.43) CNR2CNR1
SCHEMBL2569941 0.81 CNR2 (0.40) CNR2CNR1
SCHEMBL2571827 0.80 CNR2 (0.43) CNR2CNR1
SCHEMBL2573283 0.80 CNR1 (0.42) CNR2CNR1KCNH2
SCHEMBL2571693 0.79 CNR2 (0.42) CNR2CNR1
SCHEMBL2572586 0.79 CNR2 (0.42) CNR2CNR1

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 2/4885CNR1 1/4885KCNH2 841/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 CNR2 2/4885CNR1 1/4885KCNH2 841/4885

“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.