SCHEMBL22833746

SCHEMBL22833746

CC1(C)CCCN(CC(N)=O)C1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
PER2 O15055 2/20 0.41
CRY2 Q49AN0 2/20 0.41
APEX1 P27695 1/20 0.38
BLM P54132 1/20 0.38
OPRM1 P35372 4/20 0.34
OPRL1 P41146 4/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL3715212 0.89 TSHR (0.46) TSHRPER2CRY2APEX1BLM
SCHEMBL27517863 0.78 TSHR (0.44) TSHRAPEX1BLMOPRM1OPRL1
SCHEMBL7386709 0.77 TSHR (0.44) TSHRAPEX1BLMOPRM1OPRL1
SCHEMBL13632872 0.76 PER2 (0.43) PER2CRY2EHMT2MEN1KMT2A
SCHEMBL21389411 0.75 PER2 (0.43) PER2CRY2BLMOPRM1OPRL1
SCHEMBL12600979 0.74 PER2 (0.42) PER2CRY2EHMT2MEN1KMT2A
SCHEMBL21389498 0.73 KMT2A (0.36) TSHRPER2CRY2ALDH1A1L3MBTL1
SCHEMBL15438497 0.73 KMT2A (0.42) PER2CRY2ALDH1A1KMT2AKDM4E
SCHEMBL3548171 0.72 TSHR (0.43) TSHRAPEX1BLMOPRM1OPRL1
SCHEMBL19852844 0.72 TSHR (0.38) TSHRAPEX1BLM

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 4 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
EP-3986559-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-04-27 EP 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 TSHR 4598/4885PER2 2495/4885CRY2 728/4885

“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.