SCHEMBL23866604

SCHEMBL23866604

CC(C)CNC(=O)[C@@H]1COCCN1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.40
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PRCP P42785 2/20 0.36
EPHX1 P07099 1/20 0.34
TLR2 O60603 2/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNA3 P22001 1/20 0.34
KCNA5 P22460 1/20 0.34
CTSK P43235 1/20 0.33
MMP1 P03956 1/20 0.33
MMP8 P22894 1/20 0.33
CD274 Q9NZQ7 1/20 0.32
SLC6A2 P23975 1/20 0.32
ACACB O00763 1/20 0.32
SLC18A2 Q05940 1/20 0.32

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
SCHEMBL4684131 0.83 PRCP (0.42) CTSCPRCPTLR2DRD3SLC6A3
SCHEMBL18664466 0.83 PRCP (0.42) CTSCPRCPTLR2DRD3SLC6A3
SCHEMBL18664467 0.83 PRCP (0.42) CTSCPRCPTLR2DRD3SLC6A3
SCHEMBL20849774 0.79 PRCP (0.50) CTSCPRCPKCNA3KCNA5CD274
SCHEMBL27410795 0.79 CTSC (0.45) CTSCCD274ACACB
SCHEMBL23866599 0.79 CTSC (0.45) CTSCCD274ACACB
SCHEMBL15572634 0.79 CTSC (0.45) CTSCCD274ACACB
SCHEMBL1442856 0.76 CTSC (0.40) CTSCPRCPKCNA3KCNA5CD274
SCHEMBL27410797 0.76 CTSC (0.40) CTSCPRCPKCNA3KCNA5CD274
SCHEMBL1442858 0.76 CTSC (0.40) CTSCPRCPKCNA3KCNA5CD274

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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CTSC 1498/4885ALDH1A1 2764/4885CYP2D6 2475/4885

“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.