SCHEMBL8485288

SCHEMBL8485288

CCOC(=O)CCC1(c2ccccc2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
OPRM1 P35372 5/20 0.46
OPRD1 P41143 3/20 0.45
OPRK1 P41145 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC22A1 O15245 1/20 0.45
ADRA1A P35348 1/20 0.45
KCNH2 Q12809 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DPP4 P27487 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL8484148 0.99 GAA (0.50) GAAOPRM1OPRD1OPRK1SLC6A4
SCHEMBL8485004 0.94 GAA (0.53) GAAOPRM1OPRD1OPRK1SLC6A4
SCHEMBL434932 0.90 GAA (0.48) GAAOPRM1OPRD1OPRK1SLC6A4
SCHEMBL1807144 0.85 HSD11B1 (0.54) GAAOPRM1SLC6A4LMNAMEN1
SCHEMBL9181522 0.84 GAA (0.62) GAAOPRM1OPRD1OPRK1SLC6A4
SCHEMBL3545231 0.83 GAA (0.38) GAAOPRM1SLC6A4SMN1; SMN2MEN1
SCHEMBL31650310 0.82 P2RX7 (0.46) GAASMN1; SMN2LMNAKMT2ANPSR1
SCHEMBL11919549 0.79 TACR1 (0.53) GAAOPRD1OPRK1
SCHEMBL8485828 0.79 DPP4 (0.53) SLC6A4SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1805474 0.79 KAT2B (0.36) GAAOPRM1SLC6A4SMN1; SMN2LMNA

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-8835461-B2 Substituted 3-hydroxy-4-pyridone derivative SHIONOGI & CO., LTD. (JP) 2014-09-16 US disclosed
US-8835461-B2 Substituted 3-hydroxy-4-pyridone derivative SHIONOGI & CO., LTD. (JP) 2014-09-16 US disclosed
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO 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-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE ENDOD1, CNBP, DPP4 GAA 1213/4885OPRM1 4291/4885OPRD1 3592/4885

“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.