SCHEMBL5409579

SCHEMBL5409579

COC(=O)[C@@H]1CCC[C@@H](OC)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD11B1 P28845 1/20 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
SCHEMBL5408650 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5409575 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5408651 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5408647 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21451205 0.88 CHRNB2 (0.44) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL86929 0.85 SMN1; SMN2 (0.50) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL62434 0.85 SMN1; SMN2 (0.50) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28001303 0.83 DPP4 (0.42) SMN1; SMN2CHRNB2CHRNA4CHRNA3DPP4
SCHEMBL5430064 0.83 SMN1; SMN2 (0.40) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5430065 0.83 SMN1; SMN2 (0.40) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3

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 SMN1; SMN2 3394/4885CHRNB2 2766/4885CHRNA4 3462/4885

“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.