SCHEMBL30693752

SCHEMBL30693752

CC(C)(C)OC(=O)N[C@@H](Cn1ccnn1)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 9/20 0.39
▸ FOLH1 Q04609 1/20 0.36
▸ CYP1A1 P04798 2/20 0.36
▸ CTSK P43235 4/20 0.36
▸ CTSS P25774 3/20 0.36
▸ REN P00797 3/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34

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
SCHEMBL27349217 0.88 FOLH1 (0.43) CYP19A1FOLH1CYP1A1CTSKCTSS
SCHEMBL27349222 0.87 NFKB1 (0.38) CYP19A1FOLH1CYP1A1CTSKCTSS
SCHEMBL22552098 0.83 CA1 (0.40) CYP19A1FOLH1CYP1A1CTSKCTSS
SCHEMBL22579105 0.83 CA1 (0.40) CYP19A1FOLH1CYP1A1CTSKCTSS
SCHEMBL22552096 0.83 CA1 (0.40) CYP19A1FOLH1CYP1A1CTSKCTSS
SCHEMBL24529277 0.80 FOLH1 (0.36) CYP19A1FOLH1CYP1A1CTSKREN
SCHEMBL28150955 0.80 CYP2D6 (0.40) CYP19A1FOLH1CYP1A1CTSKCTSS
SCHEMBL18681582 0.80 CYP2D6 (0.40) CYP19A1FOLH1CYP1A1CTSKCTSS
SCHEMBL27349588 0.78 CYP1A2 (0.35) CTSKCTSSRENSCN9ACA1
SCHEMBL23314676 0.77 REN (0.36) CYP19A1FOLH1CYP1A1CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250376464-A1 Compounds for treatment a coronavirus infection TRAWSFYNYDD THERAPEUTICS INC (US) 2025-12-11 — — US disclosed
EP-4540227-A2 COMPOUNDS FOR TREATMENT A CORONAVIRUS INFECTION Trawsfynydd Therapeutics, Inc. (US) 2025-04-23 — — EP disclosed
WO-2023245162-A2 COMPOUNDS FOR TREATMENT A CORONAVIRUS INFECTION TRAWSFYNYDD THERAPEUTICS, INC. (US) 2023-12-21 — — WO 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-20250376464-A1 Compounds for treatment a coronavirus infection ACE2, ACE, TMPRSS2 CYP19A1 770/4885FOLH1 676/4885CYP1A1 186/4885

“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.

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