SCHEMBL21812318

SCHEMBL21812318

CN1CC2(C1)OCc1cccnc12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.45
OPRD1 P41143 1/20 0.36
OPRM1 P35372 2/20 0.35
KCNH2 Q12809 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR3A P46098 1/20 0.34

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
SCHEMBL31415638 0.77 AVPR1A (0.44) AVPR1AOPRD1OPRM1KCNH2
SCHEMBL30447969 0.77 AVPR1A (0.50) AVPR1AOPRD1OPRM1KCNH2
SCHEMBL30670269 0.75 AVPR1A (0.49) AVPR1AOPRD1OPRM1KCNH2
SCHEMBL26599110 0.75 AVPR1A (0.49) AVPR1AOPRD1OPRM1KCNH2
SCHEMBL1588637 0.74 AVPR1A (0.48) AVPR1AOPRD1OPRM1KCNH2
SCHEMBL30504151 0.74 AVPR1A (0.39) AVPR1AOPRM1KCNH2
SCHEMBL31185772 0.74 AVPR1A (0.40) AVPR1AOPRM1KCNH2
SCHEMBL29535632 0.74 AVPR1A (0.60) AVPR1AOPRD1
Hydrochloric Acid SCHEMBL16836155 0.73 AVPR1A (0.47) AVPR1AOPRD1OPRM1KCNH2
SCHEMBL30448121 0.73 AVPR1A (0.53) AVPR1AOPRM1KCNH2

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 6 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
EP-3856736-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2021-08-04 EP 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

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 AVPR1A 4644/4885OPRD1 2565/4885OPRM1 2929/4885
US-20220033379-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CYBB, NOX1, NOX4 AVPR1A 4551/4885OPRD1 2589/4885OPRM1 3062/4885

“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.