SCHEMBL18344149

SCHEMBL18344149

CCOCC1CCCN1c1nc2c(C(N)=O)[c]ccc2o1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
HTR3A P46098 3/20 0.34
SYK P43405 1/20 0.32
ELANE P08246 2/20 0.32
CRHR1 P34998 1/20 0.31
NPSR1 Q6W5P4 3/20 0.30
ALDH1A1 P00352 2/20 0.30
TSHR P16473 2/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 2/20 0.30
MAPK1 P28482 2/20 0.30
GAA P10253 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL18344136 0.90 SYK (0.40) ADORA2AADORA1HTR3ASYKCRHR1
SCHEMBL18344042 0.74 MAP4K4 (0.39) ALDH1A1TSHRMAPT
SCHEMBL18344162 0.74 MGLL (0.40) HTR3ATSHRSMN1; SMN2MAPTGAA
SCHEMBL18344204 0.73 HRH3 (0.36) HTR3ATSHRSMN1; SMN2MAPT
SCHEMBL18344236 0.73 HRH3 (0.39) HTR3AELANETSHRSMN1; SMN2MAPT
SCHEMBL18344010 0.73 HRH3 (0.37) HTR3ATSHRSMN1; SMN2MAPT
SCHEMBL18344035 0.73 ELANE (0.35) ELANEALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL18344129 0.73 IRAK4 (0.37) HTR3AALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL18344216 0.73 HRH3 (0.40) HTR3AELANEALDH1A1TSHRHPGD
SCHEMBL18344004 0.72 MGLL (0.41) HTR3AMAPT

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 17 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
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2018-06-28 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 ADORA2A 3834/4885ADORA1 3540/4885HTR3A 4706/4885
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB ADORA2A 3834/4885ADORA1 3540/4885HTR3A 4706/4885
US-11136317-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB ADORA2A 3834/4885ADORA1 3540/4885HTR3A 4706/4885
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB ADORA2A 3834/4885ADORA1 3540/4885HTR3A 4706/4885
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB ADORA2A 3834/4885ADORA1 3540/4885HTR3A 4706/4885

“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.