SCHEMBL29633688

SCHEMBL29633688

COc1ccc(CCC(C(=O)OC(C)(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
FABP5 Q01469 1/20 0.37
CHRM2 P08172 1/20 0.36
ACHE P22303 1/20 0.36
KCNH2 Q12809 2/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 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
SCHEMBL29633852 0.93 FABP5 (0.39) CHRM5CHRM1CHRM3FABP5ADRB2
SCHEMBL29633786 0.91 FABP5 (0.38) CHRM5CHRM1CHRM3FABP5CHRM2
SCHEMBL29633892 0.90 FABP5 (0.34) FABP5
SCHEMBL29633794 0.90 CHRM5 (0.42) CHRM5CHRM1CHRM3FABP5CHRM2
SCHEMBL29633839 0.88 EPHX2 (0.33) FABP5KCNH2TMEM97SIGMAR1
SCHEMBL29633898 0.87 FABP5 (0.35) FABP5ADRB2ADRB1ADRB3
SCHEMBL29633952 0.87 KMT2A (0.35) FABP5LMNA
SCHEMBL29633993 0.86 EPHX2 (0.37)
SCHEMBL29633916 0.86 FABP5 (0.42) FABP5
SCHEMBL29633784 0.86 MDM2 (0.37) FABP5

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 CHRM5 3129/4885CHRM1 4151/4885CHRM3 3464/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR CHRM5 3129/4885CHRM1 4151/4885CHRM3 3464/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR CHRM5 3129/4885CHRM1 4151/4885CHRM3 3464/4885

“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.