SCHEMBL22444690

SCHEMBL22444690

COc1ccc(CCC(N)C(=O)O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.46
NNMT P40261 1/20 0.45
GRIK1 P39086 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
GRIK2 Q13002 1/20 0.44
GRIK3 Q13003 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
GRM2 Q14416 1/20 0.40
NAMPT P43490 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL25178744 1.00 ACACB (0.46) ACACBNNMTGRIK1GRIA1GRIA2
SCHEMBL30510332 1.00 ACACB (0.46) ACACBNNMTGRIK1GRIA1GRIA2
SCHEMBL22445216 0.87 ACACB (0.48) ACACBNNMTKMT2AMEN1NPC1
SCHEMBL4601600 0.85 HSD17B10 (0.53) ACACBNNMTKMT2AMEN1PKM
SCHEMBL4601596 0.85 HSD17B10 (0.53) ACACBNNMTKMT2AMEN1PKM
SCHEMBL27607887 0.82 ACACB (0.51) ACACB
SCHEMBL22444617 0.81 TSHR (0.52) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL31369550 0.81 GRIK1 (0.40) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL29633826 0.81 ACACB (0.47) ACACBNNMTKMT2AMEN1NPC1
SCHEMBL25358698 0.81 ACACB (0.47) ACACBNNMTKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-29 US disclosed
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-12-05 US disclosed
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-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
EP-4316503-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-07 EP disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 US disclosed
EP-3939962-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-01-19 EP disclosed
CN-113692401-A Process for producing aromatic amino acid derivative 中外制药株式会社 2021-11-23 CN disclosed
WO-2020189540-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE 中外製薬株式会社 2020-09-24 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 (7 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS ACACB 4577/4885NNMT 3688/4885GRIK1 3651/4885
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS ACACB 4577/4885NNMT 3688/4885GRIK1 3651/4885
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR ACACB 999/4885NNMT 1152/4885GRIK1 1212/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS ACACB 4602/4885NNMT 4532/4885GRIK1 3808/4885
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action KRAS, NRAS, HRAS ACACB 4577/4885NNMT 3688/4885GRIK1 3651/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR ACACB 999/4885NNMT 1152/4885GRIK1 1212/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR ACACB 999/4885NNMT 1152/4885GRIK1 1212/4885

“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.