SCHEMBL30054811

SCHEMBL30054811

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](COC1CCC1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ SLC22A2 O15244 1/20 0.32
▸ SLC22A3 O75751 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SCN1A P35498 1/20 0.31
▸ SCN2A Q99250 1/20 0.31
▸ SCN3A Q9NY46 1/20 0.31
▸ GPR3 P46089 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
SCHEMBL30510240 0.95 SLC6A4 (0.36) ALDH1A1SLC6A4SLC6A3CYP2D6SLC6A2
SCHEMBL25177901 0.95 SLC6A4 (0.36) ALDH1A1SLC6A4SLC6A3CYP2D6SLC6A2
SCHEMBL8812896 0.85 CYP1A2 (0.38) CYP1A2TSHRMAPTSLC22A2SLC22A3
SCHEMBL30510335 0.85 CYP1A2 (0.38) CYP1A2TSHRMAPTSLC22A2SLC22A3
SCHEMBL30510390 0.84 NPY5R (0.36) SLC6A4SLC6A3CYP2D6SLC6A2CYP1A2
SCHEMBL25173094 0.84 NPY5R (0.36) SLC6A4SLC6A3CYP2D6SLC6A2CYP1A2
SCHEMBL30510422 0.82 NPY5R (0.39) —
SCHEMBL25179536 0.82 NPY5R (0.39) —
SCHEMBL25178677 0.81 CYP1A2 (0.35) SLC6A4SLC6A3CYP2D6SLC6A2CYP1A2
SCHEMBL30510378 0.81 CYP1A2 (0.35) SLC6A4SLC6A3CYP2D6SLC6A2CYP1A2

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 4 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 — — US disclosed
WO-2022234852-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND 中外製薬株式会社 2022-11-10 — — 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 (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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS ALDH1A1 4838/4885SLC6A4 4490/4885SLC6A3 4432/4885
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS ALDH1A1 4838/4885SLC6A4 4490/4885SLC6A3 4432/4885
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action KRAS, NRAS, HRAS ALDH1A1 4838/4885SLC6A4 4490/4885SLC6A3 4432/4885

“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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