SCHEMBL29633809

SCHEMBL29633809

CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCc1cccnc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.35
CHRNA7 P36544 2/20 0.35
RIPK1 Q13546 1/20 0.34
EPHX1 P07099 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MDM2 Q00987 1/20 0.34
LMNA P02545 1/20 0.33
SCN9A Q15858 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL22454857 1.00 CYP3A4 (0.35) CYP3A4CHRNA7RIPK1EPHX1TDP1
SCHEMBL30759472 0.91 SCN9A (0.37) CYP3A4RIPK1EPHX1LMNASCN9A
SCHEMBL29633750 0.91 MDM2 (0.34) MDM2
SCHEMBL29633761 0.90 FABP5 (0.38) MDM2
SCHEMBL25182953 0.89 CHRNA7 (0.39) CHRNA7EPHX1TDP1LMNA
SCHEMBL30054599 0.89 CHRNA7 (0.39) CHRNA7EPHX1TDP1LMNA
SCHEMBL29634103 0.89 CHRNA7 (0.39) CHRNA7EPHX1TDP1LMNA
SCHEMBL25182955 0.89 CHRNA7 (0.39) CHRNA7EPHX1TDP1LMNA
SCHEMBL29633804 0.88 FABP5 (0.33) MDM2
SCHEMBL29633742 0.88 EPHX2 (0.34) MDM2

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-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-11-14 US disclosed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 US disclosed
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 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 (3 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-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR CYP3A4 254/4885CHRNA7 3876/4885RIPK1 4514/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR CYP3A4 254/4885CHRNA7 3876/4885RIPK1 4514/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR CYP3A4 254/4885CHRNA7 3876/4885RIPK1 4514/4885

“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.