SCHEMBL18344129

SCHEMBL18344129

NC(=O)c1[c]ccc2oc(N3CCC[C@H](O)C3)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.37
IKBKB O14920 2/20 0.36
PIK3CG P48736 1/20 0.36
SMPD3 Q9NY59 2/20 0.34
KCNMA1 Q12791 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TSHR P16473 4/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
CHUK O15111 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL18344066 0.94 IRAK4 (0.37) IRAK4IKBKBHRH3TSHRLMNA
SCHEMBL18344019 0.94 IRAK4 (0.37) IRAK4IKBKBHRH3TSHRLMNA
SCHEMBL18344230 0.89 HTR3A (0.32) HRH3HTR3AKCNH2
SCHEMBL18344010 0.88 HRH3 (0.37) IRAK4IKBKBHRH3TSHRLMNA
SCHEMBL18344236 0.86 HRH3 (0.39) HRH3TSHRLMNAMAPTHTR3A
SCHEMBL18344204 0.86 HRH3 (0.36) HRH3TSHRLMNAMAPTHTR3A
SCHEMBL18344042 0.85 MAP4K4 (0.39) TSHRLMNAMAPTMEN1KMT2A
SCHEMBL18344216 0.85 HRH3 (0.40) HRH3TSHRLMNAMAPTHTR3A
SCHEMBL18344108 0.83 HRH3 (0.37) IRAK4HRH3TSHRLMNAMAPT
SCHEMBL3749974 0.82 HRH4 (0.38) HRH3LMNAHTR3AKCNH2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107743483-B NADPH oxidase 4 inhibitors 埃科特莱茵药品有限公司 2022-01-28 CN claimed
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS ACTELTION PHARMACEUTICALS LTD (CH) 2021-12-23 US claimed
EP-3310767-B1 2,5-DISUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AS NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2020-07-22 EP claimed
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2020-05-28 US claimed
US-10584118-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2020-03-10 US claimed
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2018-06-28 US claimed
EP-3310767-A1 NADPH OXIDASE 4 INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2018-04-25 EP claimed
WO-2016207785-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2016-12-29 WO claimed
CN-107743483-B NADPH oxidase 4 inhibitors 埃科特莱茵药品有限公司 2022-01-28 CN disclosed
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS ACTELTION PHARMACEUTICALS LTD (CH) 2021-12-23 US disclosed
US-11136317-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2021-10-05 US disclosed
EP-3310767-B1 2,5-DISUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AS NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2020-07-22 EP disclosed
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2020-05-28 US disclosed
US-10584118-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2020-03-10 US disclosed
EP-3310767-A1 NADPH OXIDASE 4 INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2018-04-25 EP disclosed
WO-2016207785-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2016-12-29 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 (5 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-10584118-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB IRAK4 281/4885IKBKB 765/4885PIK3CG 2152/4885
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB IRAK4 281/4885IKBKB 765/4885PIK3CG 2152/4885
US-11136317-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB IRAK4 281/4885IKBKB 765/4885PIK3CG 2152/4885
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB IRAK4 281/4885IKBKB 765/4885PIK3CG 2152/4885
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB IRAK4 281/4885IKBKB 765/4885PIK3CG 2152/4885

“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.