SCHEMBL23459409

SCHEMBL23459409

O=C(O)N1CCC(O)C1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.43
SLC18A3 Q16572 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2B P41595 1/20 0.43
MAPK14 Q16539 1/20 0.43
CCR3 P51677 1/20 0.42
TACR3 P29371 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL23459251 1.00 GBA1 (0.43) GBA1SLC18A3CYP2C9CYP2C19HTR2B
SCHEMBL6326488 1.00 GBA1 (0.43) GBA1SLC18A3CYP2C9CYP2C19HTR2B
SCHEMBL5355491 1.00 GBA1 (0.43) GBA1SLC18A3CYP2C9CYP2C19HTR2B
SCHEMBL23459412 1.00 GBA1 (0.43) GBA1SLC18A3CYP2C9CYP2C19HTR2B
SCHEMBL23459106 0.91 SLC18A3 (0.48) SLC18A3CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL23459107 0.91 SLC18A3 (0.48) SLC18A3CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL21461278 0.88 TACR1 (0.40) GBA1SLC18A3CYP2C9CYP2C19HTR2B
SCHEMBL1313049 0.86 GBA1 (0.45) GBA1CYP2C9MEN1KMT2A
SCHEMBL17542008 0.83 ABCB1 (0.43) GBA1SLC18A3CYP2C9CYP2C19HTR2B
SCHEMBL28879326 0.83 ABCB1 (0.43) GBA1SLC18A3CYP2C9CYP2C19HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 US disclosed
WO-2024006881-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-04 WO disclosed
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 US disclosed
US-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2021-06-24 US disclosed
WO-2021113506-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2021-06-10 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 (3 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-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof ATM, CHEK2, CHEK1 GBA1 3258/4885SLC18A3 4666/4885CYP2C9 4620/4885
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof WEE1, WEE2, PPME1 GBA1 2675/4885SLC18A3 4746/4885CYP2C9 4222/4885
US-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF ATM, CHEK2, CHEK1 GBA1 3258/4885SLC18A3 4666/4885CYP2C9 4620/4885

“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.