SCHEMBL25177901

SCHEMBL25177901

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](COC1CC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ CYP1A2 P05177 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ACACB O00763 4/20 0.32
▸ GPR3 P46089 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ GAA P10253 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 1.00 SLC6A4 (0.36) SLC6A4SLC6A3CYP2D6SLC6A2CYP1A2
SCHEMBL30054811 0.95 ALDH1A1 (0.35) SLC6A4SLC6A3CYP2D6SLC6A2CYP1A2
SCHEMBL8812896 0.87 CYP1A2 (0.38) CYP1A2TSHRMAPTKMT2AGPR3
SCHEMBL30510335 0.87 CYP1A2 (0.38) CYP1A2TSHRMAPTKMT2AGPR3
SCHEMBL25178677 0.83 CYP1A2 (0.35) SLC6A4SLC6A3CYP2D6SLC6A2CYP1A2
SCHEMBL30510378 0.83 CYP1A2 (0.35) SLC6A4SLC6A3CYP2D6SLC6A2CYP1A2
SCHEMBL1405820 0.83 CYP1A2 (0.38) CYP1A2TSHRMAPTCYP2C19KMT2A
SCHEMBL1405873 0.83 CYP1A2 (0.38) CYP1A2TSHRMAPTCYP2C19KMT2A
SCHEMBL4599750 0.83 CYP1A2 (0.38) CYP1A2TSHRMAPTCYP2C19KMT2A
SCHEMBL30510259 0.83 CYP1A2 (0.38) CYP1A2TSHRMAPTCYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 — — 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 (1 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 SLC6A4 4490/4885SLC6A3 4432/4885CYP2D6 4576/4885

“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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