SCHEMBL2596409

SCHEMBL2596409

COc1cc(N)c(F)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 4/20 0.50
HPGD P15428 2/20 0.50
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 2/20 0.45
ACHE P22303 1/20 0.44
HTR4 Q13639 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
KEAP1 Q14145 1/20 0.42
PTGS2 P35354 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
NEK2 P51955 1/20 0.39

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
SCHEMBL19554326 0.86 KDM4E (0.51) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL1965781 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL31634578 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL1931203 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL6109360 0.84 GAA (0.66) ALDH1A1KDM4EHPGDGAAHTT
SCHEMBL9706363 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL3423769 0.83 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL16401736 0.82 HTR4 (0.48) ALDH1A1KDM4EGAALMNAHTT
SCHEMBL22691985 0.81 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL22987079 0.81 TSHR (0.53) ALDH1A1KDM4EHPGDGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1233240-A Synthesis method of cisapride JANSSEN PHARMACEUTICA NV (BE) 1999-10-27 CN claimed
EP-4658658-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2025-12-10 EP disclosed
CN-119790057-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2025-04-08 CN disclosed
US-20240417393-A1 CERTAIN 2,5-DIAZABICYCLO[4.2.0]OCTANES AS GLP-1 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2024-12-19 US disclosed
EP-4412707-A1 CERTAIN 2,5-DIAZABICYCLO[4.2.0]OCTANES AS GLP-1 RECEPTOR MODULATORS Astrazeneca AB (SE) 2024-08-14 EP disclosed
WO-2024162828-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2024-08-08 WO disclosed
CN-118103366-A Certain 2, 5-diazabicyclo [4.2.0] octanes as GLP-1 receptor modulators 阿斯利康(瑞典)有限公司 2024-05-28 CN disclosed
WO-2023057427-A1 CERTAIN 2,5-DIAZABICYCLO[4.2.0]OCTANES AS GLP-1 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2023-04-13 WO disclosed
EP-3586838-B1 AMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 EP disclosed
US-10925848-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-02-23 US disclosed
US-9643961-B2 Cyclohexylamine derivatives having β2 adrenergic antagonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2017-05-09 US disclosed
EP-2569308-B1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2016-11-23 EP disclosed
US-20160264557-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2016-09-15 US disclosed
US-20160122300-A1 ACETYLCHOLINESTERASE INHIBITOR COMPOUNDS AND 5HT4 SEROTONERGIC RECEPTOR AGONISTS, WITH PROMNSIA EFFECT, METHODS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UNIVERSITE DE CAEN (FR) 2016-05-05 US disclosed
US-9315463-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2016-04-19 US disclosed
US-20130281415-A9 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2013-10-24 US disclosed
EP-2569308-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES Almirall S.A. (ES) 2013-03-20 EP disclosed
US-20130053359-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES PRAT QUINONES MARIA (ES) 2013-02-28 US disclosed
WO-2011141180-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING β2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2011-11-17 WO disclosed
EP-1454897-B1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7-INHIBITORY ACTIVITY ASUBIO PHARMA CO LTD (JP) 2007-10-10 EP 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-20160264557-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 ALDH1A1 1707/4885KDM4E 3592/4885HPGD 2212/4885
US-10925848-B2 Amide derivative IDO1, IDO2, TPH1 ALDH1A1 750/4885KDM4E 2941/4885HPGD 550/4885
US-20130281415-A9 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 ALDH1A1 1849/4885KDM4E 3728/4885HPGD 2389/4885
US-20160122300-A1 ACETYLCHOLINESTERASE INHIBITOR COMPOUNDS AND 5HT4 SEROTONERGIC RECEPTOR AGONISTS, WITH PROMNSIA EFFECT, METHODS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR4, CHRNA4, CHRNB4 ALDH1A1 781/4885KDM4E 1600/4885HPGD 1304/4885
US-20130053359-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 ALDH1A1 1932/4885KDM4E 3836/4885HPGD 2309/4885
US-20240417393-A1 CERTAIN 2,5-DIAZABICYCLO[4.2.0]OCTANES AS GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, GPR119 ALDH1A1 1404/4885KDM4E 2600/4885HPGD 1943/4885

“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.