SCHEMBL25938734

SCHEMBL25938734

CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Oc2ccc(Cl)c(F)c2Br)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
DRD2 P14416 5/20 0.40
KAT6A Q92794 1/20 0.40
KAT5 Q92993 1/20 0.40
BTK Q06187 3/20 0.40
DRD3 P35462 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNG7 P62955 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1D Q01668 1/20 0.38

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
SCHEMBL25938712 1.00 KDM1A (0.42) KDM1AMAOBDRD2KAT6AKAT5
SCHEMBL25938706 0.89 KDM1A (0.43) KDM1AMAOBDRD2KAT6AKAT5
SCHEMBL25938731 0.89 KDM1A (0.43) KDM1AMAOBDRD2KAT6AKAT5
SCHEMBL25938729 0.81 CACNB4 (0.40) KDM1AMAOBDRD2KAT6AKAT5
SCHEMBL25938738 0.81 CACNB4 (0.40) KDM1AMAOBDRD2KAT6AKAT5
SCHEMBL25938932 0.80 KDM1A (0.44) KDM1AMAOBDRD2BTKDRD3
SCHEMBL24977573 0.78 CACNB4 (0.41) KDM1AMAOBDRD2BTKDRD3
SCHEMBL24977576 0.78 KDM1A (0.40) KDM1AMAOBDRD2KAT6AKAT5
SCHEMBL30101686 0.78 KDM1A (0.40) KDM1AMAOBDRD2KAT6AKAT5
SCHEMBL24978468 0.78 KDM1A (0.40) KDM1AMAOBDRD2KAT6AKAT5

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-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 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 (2 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-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 KDM1A 1547/4885MAOB 4683/4885DRD2 4867/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 KDM1A 1547/4885MAOB 4683/4885DRD2 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.