SCHEMBL4192189

SCHEMBL4192189

CC(C)(C)OC(=O)N1CCC(C=Cc2ccc3c(c2)NCC(=O)O3)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
GPR119 Q8TDV5 14/20 0.40
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL4192185 1.00 KDM4E (0.41) KDM4EMAPTTHRBGPR119CLK2
SCHEMBL4183507 0.85 ALOX5 (0.37) KDM4E
SCHEMBL4183506 0.85 ALOX5 (0.37) KDM4E
SCHEMBL32667782 0.81 TRPV1 (0.44) KDM4EMAPTTHRB
SCHEMBL32667726 0.81 TRPV1 (0.44) KDM4EMAPTTHRB
SCHEMBL30683548 0.79 KEAP1 (0.47) KDM4EMAPTTHRBGPR119
SCHEMBL4184611 0.79 MAPK1 (0.38) KDM4EMAPTTHRBGPR119CLK2
SCHEMBL4195745 0.78 GPR119 (0.45) KDM4EMAPTTHRBGPR119
SCHEMBL14785862 0.75 GPR119 (0.45) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL14785860 0.75 GPR119 (0.45) KDM4EMAPTTHRBGPR119PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 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 (1 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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 KDM4E 3317/4885MAPT 2254/4885THRB 818/4885

“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.