SCHEMBL17316625

SCHEMBL17316625

FC1(F)CN(c2ccc(Br)cn2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ GRIN3A Q8TCU5 1/20 0.47
▸ AKR1C3 P42330 1/20 0.43
▸ PANK3 Q9H999 1/20 0.39
▸ OGA O60502 1/20 0.39
▸ ACACB O00763 1/20 0.36
▸ PDE10A Q9Y233 2/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ LCAT P04180 1/20 0.34
▸ CXCR3 P49682 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32

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
SCHEMBL31541433 0.86 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17316736 0.86 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1929362 0.82 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21812427 0.79 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25259544 0.78 LCAT (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30395721 0.78 LCAT (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5236585 0.78 AKR1C3 (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20802815 0.78 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1100925 0.78 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30615593 0.78 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
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
CN-106414429-B Pyrazole compounds and their use as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 — — CN disclosed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 — — US disclosed
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-19 — — US disclosed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 — — US disclosed
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 — — EP disclosed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 — — US disclosed
WO-2015186056-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-10 — — 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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G GRIN2D 618/4885GRIN3B 646/4885GRIN1 389/4885
US-12202816-B2 Compounds as NADPH oxidase inhibitors CYBB, NOX1, NOX4 GRIN2D 3094/4885GRIN3B 1780/4885GRIN1 1372/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G GRIN2D 618/4885GRIN3B 646/4885GRIN1 389/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G GRIN2D 618/4885GRIN3B 646/4885GRIN1 389/4885
US-20220033379-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CYBB, NOX1, NOX4 GRIN2D 3162/4885GRIN3B 1934/4885GRIN1 1365/4885

“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.

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