SCHEMBL23415565

SCHEMBL23415565

O=C(O)[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1.[LiH]

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
AGTR2 P50052 2/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CYP1A2 P05177 1/20 0.35
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A1 P30531 2/20 0.34
ITGB3 P05106 2/20 0.34
ITGB1 P05556 2/20 0.34
ITGAV P06756 2/20 0.34
ITGA5 P08648 2/20 0.34
ITGA4 P13612 2/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
SLC6A11 P48066 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
SCHEMBL23415469 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3AGTR2KEAP1
SCHEMBL23415467 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3AGTR2KEAP1
SCHEMBL23274047 0.98 CHRM2 (0.38) CHRM2CHRM1CHRM3AGTR2KEAP1
SCHEMBL4047414 0.98 CHRM2 (0.38) CHRM2CHRM1CHRM3AGTR2KEAP1
SCHEMBL991996 0.98 CHRM2 (0.38) CHRM2CHRM1CHRM3AGTR2KEAP1
SCHEMBL16498041 0.85 KIF11 (0.42) NOTUMALDH1A1SMN1; SMN2
SCHEMBL3825923 0.84 CHRM3 (0.36) CHRM2CHRM1CHRM3KEAP1NFE2L2
SCHEMBL25897057 0.84 CHRM3 (0.36) CHRM2CHRM1CHRM3KEAP1NFE2L2
SCHEMBL3825928 0.84 MAPT (0.40) CHRM2CHRM1CHRM3KEAP1NFE2L2
SCHEMBL5234612 0.83 S1PR1 (0.39) NOTUMALDH1A1SLC6A1SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230100838-A1 COVALENT RAS INHIBITORS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-03-30 US disclosed
WO-2021108683-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2021-06-03 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 (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-20230100838-A1 COVALENT RAS INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS CHRM2 4876/4885CHRM1 4873/4885CHRM3 4867/4885

“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.