SCHEMBL25254751

SCHEMBL25254751

CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.44
NR1H2 P55055 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HPGD P15428 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37
RECQL P46063 1/20 0.36
PREP P48147 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TGM2 P21980 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL2709135 0.88 HPGD (0.50) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL13462044 0.88 HPGD (0.50) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL2496643 0.88 HSD17B10 (0.50) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL7142429 0.86 HPGD (0.52) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL26453444 0.85 CYP1A2 (0.46) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL13567876 0.84 RECQL (0.54) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL8272250 0.84 RECQL (0.54) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL8426484 0.84 RECQL (0.54) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL13567832 0.84 RECQL (0.54) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL3843916 0.84 CYP1A2 (0.46) CYP1A2POLBCYP3A4CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-09-21 US disclosed
EP-4208454-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES WITH ANTI-BACTERIAL PROPERTIES F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 EP disclosed
CN-115989227-A Imidazole-pyrazole derivatives having antibacterial properties 豪夫迈·罗氏有限公司 2023-04-18 CN disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 EP disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 EP disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 US disclosed
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 US disclosed
WO-2022049011-A1 IMIDAZOLE-PYRAZOLE DERIVATIVES WITH ANTI-BACTERIAL PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2022-03-10 WO disclosed
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 CN disclosed
CN-113195496-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-30 CN disclosed
CN-113195498-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 CN disclosed
CN-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 CN disclosed
CN-113164771-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-23 CN 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 CYP1A2 74/4885POLB 1929/4885CYP3A4 44/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 CYP1A2 74/4885POLB 1929/4885CYP3A4 44/4885
US-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES CYP3A7, NISCH, ARG1 CYP1A2 139/4885POLB 2860/4885CYP3A4 18/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 CYP1A2 72/4885POLB 2009/4885CYP3A4 43/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X CYP1A2 79/4885POLB 2311/4885CYP3A4 5/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 CYP1A2 84/4885POLB 2232/4885CYP3A4 48/4885

“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.