SCHEMBL22854583

SCHEMBL22854583

CC1COCC(=O)N1CC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
APEX1 P27695 1/20 0.37
BLM P54132 1/20 0.37
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.34
FKBP1A P62942 1/20 0.33
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.30
KCNN4 O15554 1/20 0.30

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
SCHEMBL22833754 0.81 BRD4 (0.36) KDM4EGAASMN1; SMN2
SCHEMBL22854580 0.81 PLK1 (0.36) TSHRPOLBGAASMN1; SMN2
SCHEMBL783098 0.76 SIGMAR1 (0.40) SIGMAR1APEX1BLMTSHRKDM4E
SCHEMBL3723379 0.74 CHRM2 (0.45) SIGMAR1APEX1BLMTSHRRAB9A
SCHEMBL23328829 0.72 PIK3CD (0.45) POLB
SCHEMBL16542550 0.71 KDM4E (0.41) SIGMAR1APEX1BLMKDM4ERAB9A
SCHEMBL9654559 0.69 GBA1 (0.41) SIGMAR1POLBGAA
SCHEMBL16424927 0.69
SCHEMBL23123431 0.68 NAAA (0.32)
SCHEMBL23123714 0.68 NAAA (0.32)

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-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
CN-114340734-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-04-12 CN disclosed
WO-2020260871-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2020-12-30 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-20230014226-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK SIGMAR1 2130/4885APEX1 2300/4885BLM 4689/4885

“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.