SCHEMBL18344192

SCHEMBL18344192

COCC1CCCN1c1nc2cc(N)ccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.42
ADORA1 P30542 9/20 0.42
NMT1 P30419 2/20 0.39
CRHR1 P34998 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
NPC1 O15118 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE10A Q9Y233 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
NFKB1 P19838 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL21638128 0.91 SMN1; SMN2 (0.47) ADORA2AADORA1NMT1CRHR1ROCK2
SCHEMBL21638127 0.91 SMN1; SMN2 (0.47) ADORA2AADORA1NMT1CRHR1ROCK2
SCHEMBL20296612 0.89 ADORA2A (0.36) ADORA2AADORA1NPC1GAAMAPT
SCHEMBL18344115 0.84 NPY5R (0.38) NMT1NPC1GAAMAPTRAB9A
SCHEMBL20296756 0.84 ADORA2A (0.42) ADORA2AADORA1CRHR1SMN1; SMN2KDM4E
SCHEMBL23965741 0.83 RAB9A (0.46) ADORA2AADORA1NMT1NPC1MAPT
SCHEMBL18344033 0.76 MAP4K4 (0.46) NPC1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL18344137 0.75 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL18344186 0.75 RAB9A (0.49) NPC1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL5091471 0.74 ADORA2A (0.46) ADORA2AADORA1NMT1CRHR1ROCK2

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-11136317-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2021-10-05 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-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 3540/4885NMT1 1795/4885
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB ADORA2A 3834/4885ADORA1 3540/4885NMT1 1795/4885
US-11136317-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB ADORA2A 3834/4885ADORA1 3540/4885NMT1 1795/4885
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB ADORA2A 3834/4885ADORA1 3540/4885NMT1 1795/4885
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB ADORA2A 3834/4885ADORA1 3540/4885NMT1 1795/4885

“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.