SCHEMBL3334681

SCHEMBL3334681

CC(C)n1cccc(C(N)=O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.46
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS2 P35354 2/20 0.41
PARP1 P09874 4/20 0.39
PARP2 Q9UGN5 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.37
ADRA1D P25100 2/20 0.37
KMT2A Q03164 1/20 0.37
METAP2 P50579 1/20 0.36
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 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
SCHEMBL11634695 0.84 PTGS2 (0.45) KDM4EALDH1A1SMN1; SMN2PTGS2MAPT
SCHEMBL30672110 0.83 IRAK4 (0.41) IRAK4KDM4EALDH1A1SMN1; SMN2PTGS2
SCHEMBL22234491 0.82 PTGS2 (0.53) IRAK4KDM4EALDH1A1SMN1; SMN2PTGS2
SCHEMBL21812534 0.81 IRAK4 (0.41) IRAK4KDM4EALDH1A1PARP1KEAP1
SCHEMBL12890135 0.79 ALDH1A1 (0.47) KDM4EALDH1A1PTGS2MAPTHPGD
SCHEMBL19892630 0.77 IRAK4 (0.39) IRAK4KDM4EALDH1A1SMN1; SMN2PTGS2
SCHEMBL20594715 0.76 TSHR (0.54) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL6796081 0.76 LMNA (0.40) IRAK4KDM4EPTGS2PARP1MAPT
SCHEMBL9614829 0.76 KDM4E (0.44) IRAK4KDM4EALDH1A1SMN1; SMN2PARP1
SCHEMBL30672105 0.73 ADA (0.46) KDM4EALDH1A1SMN1; SMN2ADRA1DKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3600312-B1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2023-05-17 EP claimed
CN-117777103-A Amide compound and application thereof 和记黄埔医药(上海)有限公司 2024-03-29 CN disclosed
CN-117720519-A Amide compound and application thereof 和记黄埔医药(上海)有限公司 2024-03-19 CN disclosed
CN-117720520-A Amide compound and application thereof 和记黄埔医药(上海)有限公司 2024-03-19 CN disclosed
CN-115315422-B Amide compound and application thereof 和记黄埔医药(上海)有限公司 2023-11-07 CN disclosed
EP-4126844-A1 AMIDE COMPOUNDS AND USES THEREOF Hutchison Medipharma Limited (CN) 2023-02-08 EP disclosed
CN-115315422-A Amide compound and application thereof 和记黄埔医药(上海)有限公司 2022-11-08 CN disclosed
US-8362038-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC. (US) 2013-01-29 US disclosed
US-8362038-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC. (US) 2013-01-29 US disclosed
US-20100144789-A1 1-Isopropyl-2-Oxo-1,2-dihydropyridine-3-carboxamide Derivatives having 5-HT4 Receptor Agonistic Activity KATO TOMOKI 2010-06-10 US disclosed
US-20100144789-A1 1-Isopropyl-2-Oxo-1,2-dihydropyridine-3-carboxamide Derivatives having 5-HT4 Receptor Agonistic Activity KATO TOMOKI 2010-06-10 US disclosed
US-7691881-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC (US) 2010-04-06 US disclosed
US-7691881-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC (US) 2010-04-06 US disclosed
US-20080293767-A1 1-Isopropyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide Derivatives Having 5-Ht4 Receptor Agonistic Activity KATO TOMOKI 2008-11-27 US disclosed
US-20080293767-A1 1-Isopropyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide Derivatives Having 5-Ht4 Receptor Agonistic Activity KATO TOMOKI 2008-11-27 US disclosed
EP-1713797-B1 1-ISOPROPYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE DERIVATIVES HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER (US) 2008-03-05 EP disclosed
EP-1713797-A1 1-ISOPROPYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE DERIVATIVES HAVING 5-HT sb 4 /sb RECEPTOR AGONISTIC ACTIVITY Pfizer, Inc. (US) 2006-10-25 EP disclosed
WO-2005073222-A1 1-ISOPROPYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE DERIVATIVES HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER JAPAN, INC. (JP) 2005-08-11 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 (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-20100144789-A1 1-Isopropyl-2-Oxo-1,2-dihydropyridine-3-carboxamide Derivatives having 5-HT4 Receptor Agonistic Activity HRH4, HRH2, GPR4 IRAK4 603/4885KDM4E 2765/4885ALDH1A1 759/4885
US-20080293767-A1 1-Isopropyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide Derivatives Having 5-Ht4 Receptor Agonistic Activity HRH4, HRH2, GPR4 IRAK4 603/4885KDM4E 2765/4885ALDH1A1 759/4885

“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.