SCHEMBL25595757

SCHEMBL25595757

CN1CC(OC(=O)NC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40
ATM Q13315 1/20 0.39
DPP4 P27487 2/20 0.36
NTMT1 Q9BV86 1/20 0.36
CCNE1 P24864 7/20 0.34
CDK2 P24941 7/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GSK3B P49841 3/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 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
SCHEMBL25247324 0.86 CHRM3 (0.46) CHRM4CHRM3DPP4NTMT1SMN1; SMN2
SCHEMBL3247378 0.83 SMN1; SMN2 (0.54) ATMNTMT1SMN1; SMN2
SCHEMBL3243697 0.83 SMN1; SMN2 (0.54) ATMNTMT1SMN1; SMN2
SCHEMBL23089331 0.81 CHRM3 (0.46) CHRM4CHRM3ATMDPP4SMN1; SMN2
SCHEMBL7815595 0.79 EPHX1 (0.42) DPP4CCNE1CDK2SMN1; SMN2GSK3B
Methane SCHEMBL27968861 0.78 EPHX1 (0.41) DPP4CCNE1CDK2SMN1; SMN2GSK3B
SCHEMBL10154672 0.78 CHRM1 (0.44) CHRM4CHRM3ATMSMN1; SMN2BCHE
SCHEMBL4464249 0.76 BRD4 (0.45) DPP4CCNE1CDK2SMN1; SMN2GSK3B
SCHEMBL12669754 0.76 EPHX1 (0.48) DPP4NTMT1SMN1; SMN2LMNA
SCHEMBL18587782 0.76 CHRM3 (0.42) CHRM4CHRM3ATMSMN1; SMN2

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-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 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-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B CHRM4 4875/4885CHRM3 4861/4885ATM 562/4885

“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.