SCHEMBL418053

SCHEMBL418053

CC(C)C(=O)N1Cc2ccccc2[C@H]1C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.54
ACE P12821 9/20 0.50
DPP8 Q6V1X1 4/20 0.46
DPP9 Q86TI2 2/20 0.46
DPP4 P27487 1/20 0.46
FAP Q12884 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
DRD1 P21728 1/20 0.43
XIAP P98170 1/20 0.40
ABHD6 Q9BV23 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL418202 0.81 DRD4 (0.51) DRD4ACEDPP8DPP9DPP4
SCHEMBL23537246 0.80 DRD4 (0.50) DRD4ACEDPP8DPP9DPP4
SCHEMBL26818008 0.77 OPRM1 (0.55) ACENAMPT
SCHEMBL29854102 0.77 DRD4 (0.48) DRD4ACEDPP8DPP9DPP4
SCHEMBL18711185 0.75 DRD4 (0.46) DRD4ACEDPP8DPP9DPP4
SCHEMBL8222337 0.74 DRD4 (0.48) DRD4DRD1ABHD6NAMPT
SCHEMBL29074413 0.73 SLC6A2 (0.45) DRD4ACEDPP8DPP9DPP4
SCHEMBL9508172 0.73 DRD1 (0.57) DRD4ACEDRD1
SCHEMBL14985698 0.72 DRD4 (0.45) DRD4ACELMNASMN1; SMN2
SCHEMBL12921565 0.72 DRD4 (0.45) DRD4ACELMNASMN1; SMN2

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-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 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-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD DRD4 4726/4885ACE 109/4885DPP8 20/4885

“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.