SCHEMBL29633730

SCHEMBL29633730

CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1ccc(C(F)(F)F)cc1F)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.34
HTR2A P28223 1/20 0.33
MDM2 Q00987 1/20 0.33
RXRA P19793 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
POLQ O75417 1/20 0.32
EPHX2 P34913 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PTPN1 P18031 1/20 0.32
GNRHR P30968 1/20 0.32
KMT2A Q03164 1/20 0.31
FFAR1 O14842 1/20 0.31
CETP P11597 1/20 0.31

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
SCHEMBL22454717 1.00 SLC6A4 (0.34) SLC6A4HTR2AMDM2RXRANR1H2
SCHEMBL29633889 1.00 SLC6A4 (0.34) SLC6A4HTR2AMDM2RXRANR1H2
SCHEMBL29633924 0.91 HTR2A (0.34) SLC6A4HTR2AMDM2RXRANR1H2
SCHEMBL29634093 0.90 MDM2 (0.38) SLC6A4HTR2AMDM2POLQEPHX2
SCHEMBL29633918 0.88 CTSS (0.38) EPHX2KMT2A
SCHEMBL29633671 0.88 FABP5 (0.34) MDM2EPHX2KMT2A
SCHEMBL22454853 0.88 FABP5 (0.34) MDM2EPHX2KMT2A
SCHEMBL29633781 0.88 FABP5 (0.34) MDM2EPHX2KMT2A
SCHEMBL29634054 0.86 MDM2 (0.37) MDM2PTPN1KMT2AFFAR1
SCHEMBL29633795 0.86 MEN1 (0.42) SLC6A4HTR2AEPHX2SLC6A2SLC6A3

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 SLC6A4 188/4885HTR2A 2278/4885MDM2 223/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR SLC6A4 188/4885HTR2A 2278/4885MDM2 223/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR SLC6A4 188/4885HTR2A 2278/4885MDM2 223/4885

“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.