SCHEMBL3902299

SCHEMBL3902299

CC(C)(C)OC(=O)N1CCc2cc(OCc3ccc(CCc4ccccc4)cc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
GHSR Q92847 5/20 0.51
ROCK2 O75116 1/20 0.51
DHODH Q02127 1/20 0.49
HRH3 Q9Y5N1 5/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SRD5A1 P18405 1/20 0.47
YAP1 P46937 2/20 0.45
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL30102438 0.96 PDK1 (0.54) PDK1PDK2PDK3PDK4GHSR
SCHEMBL3905087 0.96 PDK1 (0.54) PDK1PDK2PDK3PDK4GHSR
SCHEMBL3903665 0.92 GHSR (0.49) PDK1PDK2PDK3PDK4GHSR
SCHEMBL3903564 0.88 NPC1 (0.48) PDK1PDK2PDK3PDK4GHSR
SCHEMBL17321358 0.87 HRH3 (0.53) PDK1PDK2PDK3PDK4GHSR
SCHEMBL3905150 0.86 GHSR (0.45) PDK1PDK2PDK3PDK4GHSR
SCHEMBL13957119 0.84 DHODH (0.45) PDK1PDK2PDK3PDK4GHSR
SCHEMBL3912242 0.82 POLB (0.43) PDK1PDK2PDK3PDK4GHSR
SCHEMBL3902842 0.82 PTPN1 (0.47) PDK1PDK2PDK3PDK4GHSR
SCHEMBL3905018 0.82 POLB (0.44) GHSRROCK2DHODHSRD5A1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 PDK1 1385/4885PDK2 1823/4885PDK3 1874/4885

“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.