SCHEMBL7230425

SCHEMBL7230425

CC(C)(C)OC(=O)n1nnc2cc(C=O)ccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ F2 P00734 1/20 0.38
▸ HCAR3 P49019 2/20 0.37
▸ KCNMA1 Q12791 5/20 0.36
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ F12 P00748 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MGAM O43451 1/20 0.34
▸ AMY1A P0DUB6 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34

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
SCHEMBL25042838 0.86 GPR119 (0.36) FAAHGPR119GAAF2HCAR3
SCHEMBL1161338 0.82 KCNMA1 (0.53) FAAHGPR119GAAHCAR3KCNMA1
SCHEMBL31666989 0.82 KCNMA1 (0.53) FAAHGPR119GAAHCAR3KCNMA1
SCHEMBL18063082 0.81 NR1H2 (0.43) FAAHGPR119GAAHCAR3KCNMA1
SCHEMBL6829950 0.81 GAA (0.42) FAAHGPR119GAAF2HCAR3
SCHEMBL30847441 0.81 GAA (0.42) FAAHGPR119GAAF2HCAR3
SCHEMBL18033711 0.80 HCAR3 (0.60) HCAR3MAPTPOLB
SCHEMBL29244025 0.79 MAPT (0.36) GPR119HCAR3MAPTPOLBNPSR1
SCHEMBL1161746 0.78 FAAH (0.40) FAAHGPR119GAAF2HCAR3
SCHEMBL31667519 0.78 FAAH (0.40) FAAHGPR119GAAF2HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016525-A1 COMPOUND AS ATR KINASE INHIBITOR 苏州爱科百发生物医药技术有限公司 2023-02-16 — — WO disclosed
CN-110204550-B Bicyclic compounds as Autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors 豪夫迈·罗氏有限公司 2022-05-17 — — CN disclosed
EP-3122750-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS F. Hoffmann-La Roche AG (CH) 2017-02-01 — — EP disclosed
WO-2015144605-A1 BICYCLIC COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-01 — — WO disclosed
CN-1257886-C Dehydroamino acids compounds HOFFMANN LA ROCHE (CH) 2006-05-31 — — CN disclosed
CN-1398252-A dehydroamino acid compounds HOFFMANN LA ROCHE (CH) 2003-02-19 — — CN disclosed
US-6515124-B2 (Z)-2-((2-bromo-4-(((3-hydroxybenzyl)amino)carbonyl)benzoyl) -amino)pent-2-enoic acid, for example; useful for treating psoriasis HOFFMAN-LA ROCHE INC. 2003-02-04 — — US disclosed
EP-1261579-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-12-04 — — EP disclosed
US-20020161237-A1 Dehydroamino acids HOFFMANN-LA ROCHE INC. 2002-10-31 — — US disclosed
WO-2001058853-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 — — 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-20020161237-A1 Dehydroamino acids HSD3B1, CYP8B1, TH FAAH 946/4885GPR119 2958/4885GAA 4521/4885

“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.

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