SCHEMBL31328545

SCHEMBL31328545

CC(O)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
DPP4 P27487 5/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
NR1H3 Q13133 3/20 0.36
CCR2 P41597 2/20 0.36
HSD11B1 P28845 1/20 0.36
HTRA1 Q92743 1/20 0.35
PEPD P12955 1/20 0.34
XPNPEP1 Q9NQW7 1/20 0.34
FAP Q12884 1/20 0.33

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
SCHEMBL29273284 1.00 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL25619373 1.00 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL29273287 1.00 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL25619371 1.00 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL31328756 0.90 NR1H2 (0.35) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL18023576 0.85 HTRA1 (0.34) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL19664090 0.85 HTRA1 (0.34) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL19671511 0.85 HTRA1 (0.34) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL4084639 0.83 PIK3CD (0.45) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL4498311 0.83 PIK3CD (0.45) NR1H2CHRM2CHRM1CHRM3DPP4

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-20250101043-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2025-03-27 US disclosed
WO-2025040767-A1 2-(3,8-DIAZABICYCLO[3.2.1]OCTAN-3-YL)-1,3,5-TRIAZINE DERIVATIVES AS KRAS G12D INHIBITORS FOR THE TREATMENT OF CANCER SANOFI (FR) 2025-02-27 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-20250101043-A1 KRAS INHIBITORS KRAS, NRAS, HRAS NR1H2 1327/4885CHRM2 4668/4885CHRM1 4532/4885

“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.