SCHEMBL20683255

SCHEMBL20683255

CN(C)C(=O)CC1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.37
KDM4E B2RXH2 3/20 0.36
LTA4H P09960 2/20 0.34
DPP4 P27487 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
MAPT P10636 2/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
BTK Q06187 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL16399328 0.84
SCHEMBL5986834 0.82 KDM4E (0.40) PIK3CDKDM4ETNKS2MAPTPOLB
SCHEMBL9278642 0.81 KDM4E (0.34) PIK3CDKDM4ETNKS2KMT2AGAA
SCHEMBL18433366 0.81 KDM4E (0.34) PIK3CDKDM4ETNKS2
SCHEMBL16055768 0.80 KMT2A (0.42) LTA4HDPP4POLBKMT2AGAA
SCHEMBL2375038 0.79 LTA4H (0.33) LTA4HDPP4
SCHEMBL8684586 0.78 KMT2A (0.45) DPP4POLBKMT2AALDH1A1
SCHEMBL6042973 0.78 KMT2A (0.45) DPP4POLBKMT2AALDH1A1
SCHEMBL28162736 0.78 LTA4H (0.33) LTA4HDPP4GAAALDH1A1
SCHEMBL12544225 0.78 KDM4E (0.33) PIK3CDKDM4EBTK

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
WO-2022212296-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. SHAW RESEARCH, LLC (US) 2022-10-06 WO disclosed
CN-113557017-A Inhibitors of cyclin-dependent kinase 7 and uses thereof 达纳-法伯癌症研究所股份有限公司 2021-10-26 CN disclosed
US-10472352-B2 Rac inhibitors Geneyus LLC (US) 2019-11-12 US disclosed
US-20190031647-A1 RAC INHIBITORS Geneyus LLC (US) 2019-01-31 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-20190031647-A1 RAC INHIBITORS ARHGDIB, ARHGDIA, RAC1 PIK3CD 186/4885KDM4E 2505/4885LTA4H 2089/4885
US-10472352-B2 Rac inhibitors ARHGDIB, ARHGDIA, RAC1 PIK3CD 186/4885KDM4E 2505/4885LTA4H 2089/4885

“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.