SCHEMBL6808225

SCHEMBL6808225

CC(=O)OC1CCCc2cc(C#N)ccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.49
CHRM4 P08173 2/20 0.42
DRD2 P14416 2/20 0.42
HTR7 P34969 2/20 0.42
PGR P06401 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR6 P50406 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
DPP4 P27487 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL19049419 0.80 LRRK2 (0.44) LRRK2DRD2PGRCYP11B1CYP11B2
SCHEMBL12070481 0.80 CHRM4 (0.44) CHRM4DRD2HTR7LMNAKDM4C
SCHEMBL29187437 0.78 LRRK2 (0.45) LRRK2DRD2PPARDPPARADPP4
SCHEMBL29187438 0.78 LRRK2 (0.45) LRRK2DRD2PPARDPPARADPP4
SCHEMBL10823071 0.78 ESR1 (0.49) CHRM4DRD2HTR7KDM4C
SCHEMBL23782826 0.78 LRRK2 (0.48) LRRK2DRD2PGRCYP11B1CYP11B2
SCHEMBL3823105 0.78 ESR1 (0.49) CHRM4DRD2HTR7KDM4C
SCHEMBL3817898 0.78 ESR1 (0.49) CHRM4DRD2HTR7KDM4C
SCHEMBL6991714 0.78 PPARD (0.41) LRRK2DRD2PGRLMNAHTR6
SCHEMBL4517438 0.77 PGR (0.58) LRRK2DRD2PGRCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US 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 LRRK2 3238/4885CHRM4 794/4885DRD2 1606/4885

“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.