SCHEMBL29081946

SCHEMBL29081946

Cc1cc(C2CCC(C)CN2)cc2cn[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.34
▸ ACACB O00763 4/20 0.33
▸ CDC7 O00311 2/20 0.32
▸ CCNE1 P24864 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ ROCK1 Q13464 2/20 0.32
▸ DBF4 Q9UBU7 2/20 0.32
▸ MAPT P10636 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
SCHEMBL24364680 1.00 TRPA1 (0.34) TRPA1ACACBCDC7CCNE1CDK2
SCHEMBL24364618 0.85 ADORA2A (0.32) —
SCHEMBL24366622 0.85 ADORA2A (0.32) —
SCHEMBL24364035 0.78 PIK3C3 (0.34) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL29081413 0.78 PIK3C3 (0.34) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL24364537 0.77 SLC6A2 (0.42) ROCK1MAPT
SCHEMBL25321084 0.77 SLC6A2 (0.42) ROCK1MAPT
SCHEMBL31145171 0.77 SLC6A2 (0.42) ROCK1MAPT
SCHEMBL24365829 0.77 SLC6A2 (0.42) ROCK1MAPT
SCHEMBL24366170 0.77 SLC6A2 (0.42) ROCK1MAPT

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-20240279219-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-08-22 — — US disclosed
CN-116568677-A piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers 探戈医药股份有限公司 2023-08-08 — — CN disclosed
EP-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 — — EP 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-20240279219-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 TRPA1 848/4885ACACB 3481/4885CDC7 4056/4885

“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.

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