SCHEMBL4037583

SCHEMBL4037583

CC(C)(C)OC(=O)N1CC=CC1CCNC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.51
HTT P42858 1/20 0.46
SYK P43405 1/20 0.45
MAPT P10636 1/20 0.45
KEAP1 Q14145 4/20 0.45
NFE2L2 Q16236 4/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KLK7 P49862 1/20 0.43
KLK5 Q9Y337 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
TGM2 P21980 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PREP P48147 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4037581 1.00 ABCB1 (0.51) ABCB1HTTSYKMAPTKEAP1
SCHEMBL6209011 0.86 CTSK (0.54)
SCHEMBL4041602 0.86 CTSK (0.54)
SCHEMBL6209014 0.86 CTSK (0.54)
SCHEMBL4041597 0.86 CTSK (0.54)
SCHEMBL28714313 0.84 ABCB1 (0.44) ABCB1HTTSYKMAPTSMN1; SMN2
SCHEMBL6210741 0.84 SYK (0.43) ABCB1HTTSYKSMN1; SMN2KLK7
SCHEMBL4039025 0.84 SYK (0.43) ABCB1HTTSYKSMN1; SMN2KLK7
SCHEMBL28694679 0.82 ABCB1 (0.41) ABCB1SYKLMNASMN1; SMN2MEN1
SCHEMBL3977625 0.80 ABCB1 (0.51) ABCB1KEAP1NFE2L2LMNASMN1; SMN2

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
WO-2022161448-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-08-04 WO disclosed
EP-4003355-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-06-01 EP disclosed
CN-114173787-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 杨森科学爱尔兰无限公司 2022-03-11 CN disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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 (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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS ABCB1 1144/4885HTT 2905/4885SYK 1958/4885

“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.