SCHEMBL21897066

SCHEMBL21897066

CC[C@@H]1CC(C)CN1C(=O)C(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
PIK3CD O00329 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
SCHEMBL21343591 0.91 DPP4 (0.34) PEPD
SCHEMBL19658165 0.87 PEPD (0.35) PEPDSMN1; SMN2PIK3CD
SCHEMBL18994149 0.84 PEPD (0.33) PEPDSMN1; SMN2
SCHEMBL22534979 0.80 DPP4 (0.35) PEPD
SCHEMBL19658095 0.78 PEPD (0.37) PEPD
SCHEMBL19772721 0.77
SCHEMBL11992649 0.77 ATM (0.36) PEPD
SCHEMBL20348164 0.76 PIK3CD (0.33) PIK3CD
SCHEMBL21142890 0.76 MEN1 (0.46)
SCHEMBL15033769 0.76 PIK3CD (0.50) PEPDSMN1; SMN2PIK3CD

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-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 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-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PEPD 389/4885SMN1; SMN2 1564/4885PIK3CD 1022/4885

“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.