SCHEMBL21812435

SCHEMBL21812435

COC1CCN(c2ccc(Br)cn2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.47
ACACB O00763 6/20 0.44
PDE10A Q9Y233 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
MAP4K4 O95819 2/20 0.43
HRH3 Q9Y5N1 3/20 0.41
AKR1C3 P42330 1/20 0.40
AOC3 Q16853 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
SCHEMBL21588309 0.91 MAP4K4 (0.48) ACACBPDE10AGRIN2DGRIN3BGRIN1
SCHEMBL14992972 0.88 ACACB (0.50) ADRA1AACACBPDE10AGRIN2DGRIN3B
SCHEMBL12017400 0.84 HRH3 (0.50) ADRA1AACACBPDE10AGRIN2DGRIN3B
SCHEMBL8235030 0.84 HRH3 (0.50) ADRA1AACACBPDE10AGRIN2DGRIN3B
SCHEMBL6920942 0.84 HRH3 (0.50) ADRA1AACACBPDE10AGRIN2DGRIN3B
SCHEMBL389972 0.82 ACACB (0.43) ADRA1AACACBPDE10AGRIN2DGRIN3B
SCHEMBL390047 0.82 ACACB (0.43) ADRA1AACACBPDE10AGRIN2DGRIN3B
SCHEMBL389971 0.82 ACACB (0.43) ADRA1AACACBPDE10AGRIN2DGRIN3B
SCHEMBL19313523 0.82 ADRA1A (0.47) ADRA1AACACBPDE10AMAP4K4HRH3
SCHEMBL2792824 0.82 MAP4K4 (0.48) ADRA1AACACBGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856736-B1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2026-05-06 EP disclosed
US-12202816-B2 Compounds as NADPH oxidase inhibitors CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2025-01-21 US disclosed
US-20220033379-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2022-02-03 US disclosed
US-20220033379-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2022-02-03 US disclosed
EP-3856736-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2021-08-04 EP disclosed
CN-112930346-A Novel compounds as NADPH oxidase inhibitors 金其尤泰克斯瑞士股份有限公司 2021-06-08 CN disclosed
WO-2020065048-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2020-04-02 WO disclosed
EP-3628669-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2020-04-01 EP disclosed
EP-3628669-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2020-04-01 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 (2 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-12202816-B2 Compounds as NADPH oxidase inhibitors CYBB, NOX1, NOX4 ADRA1A 2453/4885ACACB 360/4885PDE10A 1134/4885
US-20220033379-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CYBB, NOX1, NOX4 ADRA1A 2284/4885ACACB 325/4885PDE10A 962/4885

“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.