SCHEMBL2571933

SCHEMBL2571933

CCN(CC)C(=O)c1ccc(-c2cn(CC3CCOCC3)c(C(C)(C)C)n2)s1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.39
KCNH2 Q12809 2/20 0.39
CYP2D6 P10635 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
OPRD1 P41143 1/20 0.39
CNR1 P21554 3/20 0.36
MCHR1 Q99705 2/20 0.34

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
SCHEMBL2564266 0.85 CNR2 (0.36) CNR2KCNH2CNR1
SCHEMBL2570734 0.84 CNR2 (0.38) CNR2KCNH2CNR1
SCHEMBL3417909 0.81 CNR2 (0.39) CNR2KCNH2CNR1
SCHEMBL2573030 0.81 CNR2 (0.40) CNR2KCNH2CYP2D6OPRD1CNR1
SCHEMBL3418534 0.81 CNR1 (0.40) CNR2KCNH2CNR1
SCHEMBL2576760 0.81 NPC1 (0.40) CNR2NPC1ALDH1A1RAB9ACNR1
SCHEMBL2571582 0.80 MTOR (0.43) CNR2CNR1
SCHEMBL2570747 0.80 CNR2 (0.39) CNR2CNR1
SCHEMBL2572099 0.80 CNR2 (0.40) CNR2ALDH1A1CNR1
Hydrochloric Acid SCHEMBL2574144 0.80 MTOR (0.42) CNR2KCNH2CNR1

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 2/4885KCNH2 841/4885CYP2D6 960/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 CNR2 2/4885KCNH2 841/4885CYP2D6 960/4885

“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.