SCHEMBL22950787

SCHEMBL22950787

CC(C)(C)OC(=O)N1CC=CC1CCN=[N+]=[N-]

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
PREP P48147 1/20 0.32
TPSAB1 Q15661 2/20 0.31
TPSD1 Q9BZJ3 2/20 0.31
TPSG1 Q9NRR2 2/20 0.31
ATM Q13315 2/20 0.31
CTSK P43235 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
NR1H2 P55055 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
SCHEMBL13909121 1.00 LMNA (0.35) LMNANPSR1CYP1A2POLBCYP3A4
SCHEMBL4040236 0.81 NR1H2 (0.37) LMNANPSR1CYP1A2POLBCYP3A4
SCHEMBL4040230 0.81 NR1H2 (0.37) LMNANPSR1CYP1A2POLBCYP3A4
SCHEMBL4049132 0.80 PREP (0.35) LMNANPSR1CYP1A2POLBCYP3A4
SCHEMBL4049137 0.80 PREP (0.35) LMNANPSR1CYP1A2POLBCYP3A4
SCHEMBL24821656 0.78 NR1H2 (0.42) LMNANPSR1CYP1A2POLBCYP3A4
SCHEMBL2227084 0.78 NR1H2 (0.42) LMNANPSR1CYP1A2POLBCYP3A4
SCHEMBL1639634 0.78 NR1H2 (0.42) LMNANPSR1CYP1A2POLBCYP3A4
SCHEMBL4045705 0.76 GPR119 (0.37) PREPNR1H2
SCHEMBL22950789 0.74 GPR119 (0.38) ATM

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-20230083012-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2023-03-16 US disclosed
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
WO-2021018237-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-02-04 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 (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-20230083012-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP LMNA 2845/4885NPSR1 4129/4885CYP1A2 682/4885

“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.