SCHEMBL6808267

SCHEMBL6808267

CC(=O)OC1OCc2cc(C#N)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ABCC9 O60706 2/20 0.36
SLC6A4 P31645 2/20 0.33
MALT1 Q9UDY8 1/20 0.33
NAMPT P43490 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HCRTR2 O43614 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33

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
SCHEMBL27984641 0.80 MAPK1 (0.41) KDM4ESLC6A4CYP3A4ALOX15LMNA
SCHEMBL8896169 0.79 KDM4E (0.36) KDM4EABCC9SLC6A4NAMPTPTGDR2
Methylamine SCHEMBL27336813 0.78 MAPK1 (0.40) KDM4ECYP3A4ALOX15LMNAMAPK1
SCHEMBL23481105 0.73 PNMT (0.41) SLC6A4DRD2DRD3CHRNA1CHRNG
SCHEMBL6808225 0.72 LRRK2 (0.49) PTGDR2DRD2PPARDPPARALMNA
SCHEMBL12474256 0.72 HSD11B1 (0.42) HTR1DDRD2DRD3
SCHEMBL6810997 0.71 PPARA (0.43) SLC6A4PTGDR2HTR1DHTR1BPPARD
SCHEMBL6991714 0.71 PPARD (0.41) ABCC9PTGDR2DRD2CYP3A4ALOX15
SCHEMBL7441239 0.69 HCRTR2 (0.48) KDM4EABCC9HCRTR2DRD2DRD3
SCHEMBL8899288 0.68 CHRNA1 (0.35) KDM4ESLC6A4DRD2DRD3CHRNA1

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-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 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-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 KDM4E 1462/4885ABCC9 265/4885SLC6A4 1958/4885

“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.