SCHEMBL4184611

SCHEMBL4184611

CC(C)(C)OC(=O)N1CCC/C(=C/c2ccc3c(c2)NCC(=O)O3)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
ESR2 Q92731 1/20 0.36
NR1H2 P55055 1/20 0.36
GPR119 Q8TDV5 4/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
HDAC1 Q13547 1/20 0.33
AVPR1A P37288 1/20 0.33
CYBB P04839 1/20 0.33
NOX5 Q96PH1 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.79 KDM4E (0.41) GPR119CLK2CLK3GSK3BDYRK1A
SCHEMBL4192189 0.79 KDM4E (0.41) GPR119CLK2CLK3GSK3BDYRK1A
SCHEMBL5341385 0.74 ESR2 (0.43) MAPK1ESR2NR1H2HDAC1MEN1
SCHEMBL21369533 0.74 ESR2 (0.43) MAPK1ESR2NR1H2HDAC1MEN1
SCHEMBL5341383 0.74 ESR2 (0.43) MAPK1ESR2NR1H2HDAC1MEN1
SCHEMBL15608128 0.73 HPGDS (0.42) MAPK1ESR2NR1H2GPR119
SCHEMBL13974863 0.73 ESR2 (0.42) MAPK1ESR2NR1H2HDAC1MEN1
SCHEMBL15626917 0.73 HPGDS (0.42) MAPK1ESR2NR1H2GPR119
SCHEMBL15608127 0.73 HPGDS (0.42) MAPK1ESR2NR1H2GPR119
SCHEMBL4189717 0.72 ESR2 (0.42) ESR2NR1H2GSK3BDYRK1AHDAC1

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 MAPK1 3436/4885ESR2 645/4885NR1H2 117/4885

“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.