SCHEMBL29914778

SCHEMBL29914778

CC1(C)OB(c2ccc(N3CCOCC3)c(CN3CCCC3)c2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.39
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
CYP2A13 Q16696 5/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE2A O00408 1/20 0.34
ROCK1 Q13464 1/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
ABHD6 Q9BV23 2/20 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
SCHEMBL27160039 1.00 MGLL (0.39) MGLLDRD2DRD4HRH2HRH1
SCHEMBL29914864 0.99 MGLL (0.38) MGLLDRD2DRD4HRH2HRH1
SCHEMBL27159778 0.99 MGLL (0.38) MGLLDRD2DRD4HRH2HRH1
SCHEMBL29914797 0.98 MGLL (0.39) MGLLDRD2DRD4HRH2HRH1
SCHEMBL27159887 0.98 MGLL (0.39) MGLLDRD2DRD4HRH2HRH1
SCHEMBL27159901 0.86 BACE1 (0.39) MGLLDRD2DRD4HRH2HRH1
SCHEMBL29914919 0.86 BACE1 (0.39) MGLLDRD2DRD4HRH2HRH1
SCHEMBL29914916 0.85 MGLL (0.36) MGLLDRD2DRD4HRH2HRH1
SCHEMBL27159842 0.85 MGLL (0.36) MGLLDRD2DRD4HRH2HRH1
SCHEMBL27159823 0.83 CYP1A2 (0.35) ROCK1LPLLIPGLGMNGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425479-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-12-26 US disclosed
EP-4330246-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) Ontario Institute for Cancer Research (OICR) (CA) 2024-03-06 EP disclosed
WO-2022226665-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 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-20240425479-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) DCK, CMPK1, WNK1 MGLL 3423/4885DRD2 4636/4885DRD4 4749/4885

“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.