SCHEMBL7517413

SCHEMBL7517413

CC(C)C[C@H](N)C(=O)NC1CCCOC[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 3/20 0.38
VDR P11473 1/20 0.36
CACNA1B Q00975 1/20 0.36
ARG2 P78540 2/20 0.33
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
SLC7A5 Q01650 1/20 0.33
CAPN1 P07384 5/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LARS1 Q9P2J5 1/20 0.32
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL5099315 0.77 ARG1 (0.43) ARG1CACNA1BARG2DPP4DPP8
SCHEMBL7519612 0.77 ARG1 (0.36) ARG1VDRCACNA1BARG2SLC7A5
SCHEMBL7526170 0.77 ARG1 (0.36) ARG1VDRCACNA1BARG2SLC7A5
SCHEMBL4622520 0.75 CAPN1 (0.51) ARG1CAPN1
Hydrochloric Acid SCHEMBL8808672 0.74 CAPN1 (0.50) ARG1CAPN1
Hydrochloric Acid SCHEMBL8808683 0.74 CAPN1 (0.50) ARG1CAPN1
SCHEMBL6273912 0.74 ARG1 (0.45) ARG1CACNA1BARG2DPP4DPP8
SCHEMBL5096613 0.73 CTSK (0.41) ARG1CACNA1BARG2DPP4DPP8
SCHEMBL5096619 0.73 CTSK (0.41) ARG1CACNA1BARG2DPP4DPP8
SCHEMBL7451819 0.73 TAS1R3 (0.32)

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-20020165222-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-07 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-20020165222-A1 Protease inhibitors CTSK, CTSZ, CTSE ARG1 3020/4885VDR 690/4885CACNA1B 4151/4885

“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.