SCHEMBL4590525

SCHEMBL4590525

CN(C)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.50
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
CTSK P43235 2/20 0.47
GAA P10253 2/20 0.45
EPHX1 P07099 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
DRD2 P14416 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
EPHX2 P34913 1/20 0.40
CYP2C9 P11712 1/20 0.39
HSD11B1 P28845 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNA3 P22001 1/20 0.38

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
SCHEMBL626874 1.00 BTK (0.50) BTKKDM1AMAOBCTSKGAA
SCHEMBL626875 1.00 BTK (0.50) BTKKDM1AMAOBCTSKGAA
SCHEMBL8328730 0.90 BTK (0.55) BTKKDM1AMAOBCTSKGAA
SCHEMBL24335931 0.90 BTK (0.55) BTKKDM1AMAOBCTSKGAA
SCHEMBL8611872 0.90 BTK (0.55) BTKKDM1AMAOBCTSKGAA
SCHEMBL22200605 0.90 BTK (0.50) BTKKDM1AMAOBCTSKGAA
SCHEMBL28073206 0.89 BTK (0.53) BTKKDM1AMAOBCTSKGAA
SCHEMBL28621935 0.89 BTK (0.53) BTKKDM1AMAOBCTSKGAA
SCHEMBL30035346 0.89 BTK (0.47) BTKKDM1AMAOBCTSKGAA
SCHEMBL10343938 0.87 BTK (0.61) BTKKDM1AMAOBCTSKGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-15 US disclosed
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-15 US disclosed
US-20220251065-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2022-08-11 US disclosed
US-11325910-B2 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-10 US disclosed
US-20200277292-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-03 US disclosed
US-10550121-B2 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-04 US disclosed
US-20190315747-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-17 US disclosed
WO-2008065500-A2 HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 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 (6 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-11325910-B2 Inhibitors of cyclin-dependent kinases CDK3, CDK13, CDK1 BTK 698/4885KDM1A 3097/4885MAOB 1342/4885
US-20200277292-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 BTK 698/4885KDM1A 3097/4885MAOB 1342/4885
US-10550121-B2 Inhibitors of cyclin-dependent kinases CDK3, CDK13, CDK1 BTK 698/4885KDM1A 3097/4885MAOB 1342/4885
US-20220251065-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 BTK 1524/4885KDM1A 2007/4885MAOB 4686/4885
US-20190315747-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 BTK 698/4885KDM1A 3097/4885MAOB 1342/4885
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 BTK 698/4885KDM1A 3097/4885MAOB 1342/4885

“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.