SCHEMBL24730381

SCHEMBL24730381

CC(C)OC[C@@H]1CN(C)CCO1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
IRAK4 Q9NWZ3 1/20 0.39
PDK1 Q15118 3/20 0.37
EPHA2 P29317 8/20 0.35
KDR P35968 7/20 0.35
EPHB4 P54760 5/20 0.35
EGFR P00533 1/20 0.35
SLC6A2 P23975 1/20 0.35
ERBB2 P04626 3/20 0.34
DRD4 P21917 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
SCHEMBL18084612 1.00 HRH3 (0.44) HRH3IRAK4PDK1EPHA2KDR
SCHEMBL24731127 1.00 HRH3 (0.44) HRH3IRAK4PDK1EPHA2KDR
SCHEMBL19465223 0.87 HRH3 (0.42) HRH3IRAK4PDK1DRD4
SCHEMBL23979785 0.84 HRH3 (0.43) HRH3IRAK4PDK1EPHA2KDR
SCHEMBL23592553 0.84 HRH3 (0.33) HRH3IRAK4PDK1
SCHEMBL27323714 0.81 HRH3 (0.58) HRH3PDK1EPHA2KDREPHB4
SCHEMBL17827404 0.81 HRH3 (0.58) HRH3PDK1EPHA2KDREPHB4
SCHEMBL25001428 0.81 HRH3 (0.38) HRH3PDK1DRD4
SCHEMBL7925158 0.79 PDK1 (0.56) HRH3PDK1EPHA2KDREPHB4
SCHEMBL3436781 0.79 PDK1 (0.56) HRH3PDK1EPHA2KDREPHB4

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-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof 280 Bio, Inc (US) 2023-08-03 US disclosed
WO-2022247770-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海璎黎药业有限公司 2022-12-01 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-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof NRAS, KRAS, RAB8A HRH3 2019/4885IRAK4 3957/4885PDK1 2432/4885

“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.