SCHEMBL21588465

SCHEMBL21588465

Brc1ccc(N2CC3(CCOCC3)C2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.51
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ RET P07949 2/20 0.41
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ HPGD P15428 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 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
SCHEMBL21841807 0.84 AKR1C3 (0.47) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19593 0.78 AKR1C3 (0.70) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31541438 0.78 GRIN2D (0.44) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31280730 0.76 NPC1 (0.36) RETALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL25965618 0.76 AKR1C3 (0.44) AKR1C3TSHRALDH1A1HPGDHSD17B10
SCHEMBL31541433 0.76 GRIN2D (0.43) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21588391 0.75 AKR1C3 (0.51) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17316625 0.75 GRIN2D (0.47) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23538930 0.74 AKR1C3 (0.50) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31541411 0.74 AKR1C3 (0.50) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A

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 13 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-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates AC IMMUNE SA (CH) 2023-08-17 — — US disclosed
US-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates AC IMMUNE SA (CH) 2023-08-17 — — US disclosed
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates AC IMMUNE SA (CH) 2023-06-27 — — US disclosed
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates AC IMMUNE SA (CH) 2023-06-27 — — 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
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
WO-2019233883-A1 TETRAHYDROBENZOFURO[2,3-C]PYRIDINE AND BETA-CARBOLINE COMPOUNDS FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES AC IMMUNE SA (CH) 2019-12-12 — — 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 (4 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-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates MAPT, MAP1LC3A, MAP1LC3B AKR1C3 3879/4885GRIN2D 769/4885GRIN3B 292/4885
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates MAPT, PSEN2, PSEN1 AKR1C3 3317/4885GRIN2D 662/4885GRIN3B 266/4885
US-12202816-B2 Compounds as NADPH oxidase inhibitors CYBB, NOX1, NOX4 AKR1C3 351/4885GRIN2D 3094/4885GRIN3B 1780/4885
US-20220033379-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CYBB, NOX1, NOX4 AKR1C3 313/4885GRIN2D 3162/4885GRIN3B 1934/4885

“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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