SCHEMBL6802746

SCHEMBL6802746

CC(C)Cc1nc(C2CCN(c3ncccn3)CC2)oc1C(=O)CNC(=O)C(N)CC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
TSHR P16473 3/20 0.32
USP30 Q70CQ3 1/20 0.32
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
AXL P30530 2/20 0.31
ACACB O00763 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6802745 0.83 AXL (0.32) KDM4EALDH1A1LMNAHPGDGPR119
SCHEMBL6803756 0.82 ERCC1 (0.35)
SCHEMBL6801297 0.81 MGLL (0.34) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL6801809 0.81 KDM4E (0.37) KDM4EALDH1A1LMNAACACB
SCHEMBL6807167 0.79 ERCC1 (0.34)
SCHEMBL6801296 0.72 MGLL (0.32) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL6800978 0.72 ASAH1 (0.36)
SCHEMBL6797743 0.70 CTSS (0.37)
SCHEMBL6802992 0.69
SCHEMBL6801806 0.68 KDM4E (0.35) KDM4EALDH1A1LMNAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 US disclosed
US-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 US disclosed
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 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-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV KDM4E 4231/4885ALDH1A1 1591/4885LMNA 3225/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV KDM4E 4231/4885ALDH1A1 1591/4885LMNA 3225/4885

“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.