SCHEMBL921576

SCHEMBL921576

CC(C)(C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
ADORA1 P30542 2/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CETP P11597 1/20 0.46

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
SCHEMBL13489802 0.93 ADORA1 (0.48) L3MBTL1ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL10691207 0.89 ADORA1 (0.46) L3MBTL1ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL126159 0.89 RAB9A (0.68) MEN1KMT2ARAB9ASMN1; SMN2POLB
SCHEMBL30485981 0.89 RAB9A (0.68) MEN1KMT2ARAB9ASMN1; SMN2POLB
SCHEMBL19718960 0.89 ADORA1 (0.48) L3MBTL1ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL3211414 0.87 XIAP (0.59) L3MBTL1ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL29581363 0.87 GRM5 (0.51) L3MBTL1ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL3883249 0.87 FFAR2 (0.48) L3MBTL1ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL31038670 0.87 ALDH1A1 (0.54) L3MBTL1ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL968790 0.87 GRM5 (0.51) L3MBTL1ADORA1CYP1A2CYP3A4CYP2C9

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294491-A1 SALT OF HETEROCYCLIC COMPOUND WITH ANTI-MALARIA ACTIVITY, AND CRYSTALS THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2024-09-05 US disclosed
EP-4342889-A1 SALT OF HETEROCYCLIC COMPOUND WITH ANTI-MALARIA ACTIVITY, AND CRYSTALS THEREOF Eisai R&D Management Co., Ltd. (JP) 2024-03-27 EP disclosed
US-20230108442-A1 NOVEL ANTIMALARIAL AGENT CONTAINING HETEROCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-04-06 US disclosed
US-20230108442-A1 NOVEL ANTIMALARIAL AGENT CONTAINING HETEROCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-04-06 US disclosed
WO-2023002965-A1 SALT OF HETEROCYCLIC COMPOUND WITH ANTI-MALARIA ACTIVITY, AND CRYSTALS THEREOF エーザイ・アール・アンド・ディー・マネジメント株式会社 2023-01-26 WO disclosed
WO-2023002965-A1 SALT OF HETEROCYCLIC COMPOUND WITH ANTI-MALARIA ACTIVITY, AND CRYSTALS THEREOF エーザイ・アール・アンド・ディー・マネジメント株式会社 2023-01-26 WO disclosed
EP-4058147-A1 NOVEL ANTIMALARIAL AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd (JP) 2022-09-21 EP disclosed
WO-2021149692-A1 NOVEL ANTIMALARIAL AGENT CONTAINING HETEROCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-07-29 WO disclosed
WO-2021149692-A1 NOVEL ANTIMALARIAL AGENT CONTAINING HETEROCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-07-29 WO disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
US-20040127514-A1 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC 2004-07-01 US disclosed
US-20040122043-A1 Imidazopyridine compounds as 5-HT4 receptor agonists PFIZER INC 2004-06-24 US disclosed
WO-2004026869-A1 IMIDAZOPYRIDINE COMPUNDS AS 5-HT4 RECEPTOR AGONISTS PFIZER JAPAN INC. (JP) 2004-04-01 WO disclosed
WO-2004026869-A1 IMIDAZOPYRIDINE COMPUNDS AS 5-HT4 RECEPTOR AGONISTS PFIZER JAPAN INC. (JP) 2004-04-01 WO disclosed
WO-2004026868-A1 N-SUBSTITUTED PIPERIDINYL-IMIDAZOPYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2004-04-01 WO disclosed
WO-2004026868-A1 N-SUBSTITUTED PIPERIDINYL-IMIDAZOPYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2004-04-01 WO disclosed
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators UCHIDA CHIKARA (JP) 2004-02-19 US disclosed
US-6624162-B2 5-HT4 receptor binding activity, and thus are useful for the treatment of gastroesophageal reflux disease, non-ulcer dyspepsia, Functional dyspepsia, irritable bowel syndrome or the like in mammalian, especially humans. PFIZER INC. 2003-09-23 US disclosed
US-20030092699-A1 Imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC. 2003-05-15 US disclosed
WO-2003035649-A1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2003-05-01 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 (7 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-20030092699-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HTR4, HRH4, HRH2 L3MBTL1 3834/4885ADORA1 175/4885CYP1A2 1205/4885
US-20040127514-A1 N-substituted piperidinyl-imidazopyridine compounds as 5-HT4 receptor modulators HTR4, HRH4, HRH2 L3MBTL1 4579/4885ADORA1 291/4885CYP1A2 782/4885
US-20230108442-A1 NOVEL ANTIMALARIAL AGENT CONTAINING HETEROCYCLIC COMPOUND QDPR, DHODH, THPO L3MBTL1 4316/4885ADORA1 2435/4885CYP1A2 2750/4885
US-20240294491-A1 SALT OF HETEROCYCLIC COMPOUND WITH ANTI-MALARIA ACTIVITY, AND CRYSTALS THEREOF REN, RCC1, LSS L3MBTL1 4404/4885ADORA1 4139/4885CYP1A2 1411/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 L3MBTL1 1292/4885ADORA1 3433/4885CYP1A2 2625/4885
US-20040122043-A1 Imidazopyridine compounds as 5-HT4 receptor agonists HTR4, GPR4, HRH4 L3MBTL1 3511/4885ADORA1 235/4885CYP1A2 851/4885
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HRH4, HTR4, HRH2 L3MBTL1 3664/4885ADORA1 158/4885CYP1A2 1080/4885

“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.