SCHEMBL5423917

SCHEMBL5423917

CO[C@@H]1CCC[C@@](C)(C(N)=O)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PARP10 Q53GL7 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL5423916 1.00 MAPK8 (0.35) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL5401862 0.84 FFAR3 (0.41) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL5410652 0.84 FFAR3 (0.41) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL4749316 0.84 FFAR3 (0.41) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL5410650 0.84 FFAR3 (0.41) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL5401869 0.84 FFAR3 (0.41) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL14041867 0.82 NPSR1 (0.35) MAPK8SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL5418297 0.82 NPSR1 (0.35) MAPK8SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL25228836 0.81 TDP1 (0.34)
SCHEMBL28926983 0.76 CYP1A2 (0.46) ALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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 (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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA MAPK8 250/4885PDE4A 823/4885PDE4B 836/4885

“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.