SCHEMBL1974295

SCHEMBL1974295

CC(C)(C)OC(=O)N1C2CCC1CC(Nc1ccc3c(cnn3C(=O)C(C)(C)C)c1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 1/20 0.46
GPR119 Q8TDV5 11/20 0.45
KAT2B Q92831 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
CHEK2 O96017 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KA3 P51812 1/20 0.40
PAK1 Q13153 1/20 0.40
DYRK1A Q13627 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
EEF2K O00418 1/20 0.40
MAP4K4 O95819 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3B P49841 1/20 0.40
PRKX P51817 1/20 0.40
NEK4 P51957 1/20 0.40

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
SCHEMBL530149 0.81 USP30 (0.44) GPR119ROCK2ALDH1A1
SCHEMBL15080271 0.80 CHEK1 (0.37) ROCK2CHEK2TAOK1CLK4
SCHEMBL1980303 0.80 ROCK2 (0.55) ROCK2ROCK1JAK1
SCHEMBL530369 0.76 SYK (0.43) AURKBITK
SCHEMBL312267 0.75 KAT2B (0.52) SUV39H2GPR119KAT2BCHRM2CHRM1
SCHEMBL530349 0.75 SYK (0.49) PRKD2AURKBITKJAK1JAK3
SCHEMBL5813828 0.74 SYK (0.47) GPR119ROCK2ROCK1CHEK2PRKACA
SCHEMBL3524222 0.73 CHRM1 (0.55) SUV39H2GPR119KAT2BCHRM2CHRM1
SCHEMBL529648 0.73 GFER (0.46)
SCHEMBL27478459 0.73 KAT2B (0.51) SUV39H2GPR119KAT2BCHRM2CHRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835457-B2 Bridged bicyclic RHO kinase inhibitor compounds, compositions and use MERCK SHARP & DOHME CORP. (US) 2014-09-16 US disclosed
US-20130281485-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND USE MERCK SHARP & DOHME LLC 2013-10-24 US disclosed
US-8476295-B2 Bridged bicyclic RHO kinase inhibitor compounds, composition and use Inspire (US) 2013-07-02 US disclosed
US-20110144150-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2011-06-16 US 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-20130281485-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND USE ROCK1, RHOA, ROCK2 SUV39H2 3095/4885GPR119 1862/4885KAT2B 3861/4885
US-20110144150-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 SUV39H2 3246/4885GPR119 1872/4885KAT2B 3810/4885

“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.