SCHEMBL21821297

SCHEMBL21821297

O=C(C(Nc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.48
▸ ITGA5 P08648 1/20 0.47
▸ ITGB6 P18564 1/20 0.47
▸ ITGB8 P26012 1/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KLRK1 P26718 2/20 0.46
▸ MICA Q29983 2/20 0.46
▸ RAET1L Q5VY80 2/20 0.46
▸ MTOR P42345 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CASR P41180 2/20 0.43
▸ PHGDH O43175 1/20 0.42
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL19283810 0.93 KLRK1 (0.53) ITGA5ITGB6ITGB8KLRK1MICA
SCHEMBL21821288 0.92 KLRK1 (0.52) ITGA5ITGB6ITGB8KLRK1MICA
SCHEMBL19283862 0.92 KLRK1 (0.52) ITGA5ITGB6ITGB8KLRK1MICA
SCHEMBL21821319 0.90 ITGA5 (0.49) ITGA5ITGB6ITGB8KLRK1MICA
SCHEMBL19283725 0.90 ITGA5 (0.48) ITGA5ITGB6ITGB8KLRK1MICA
SCHEMBL21821304 0.89 HRH4 (0.49) ITGA5ITGB6ITGB8KLRK1MICA
SCHEMBL21821293 0.88 ITGA5 (0.46) ITGA5ITGB6ITGB8KLRK1MICA
SCHEMBL30966745 0.88 ITGA5 (0.44) ITGA5ITGB6ITGB8MAPK1TP53
SCHEMBL19283627 0.88 ITGA5 (0.46) ITGA5ITGB6ITGB8MAPK1TP53
SCHEMBL19283696 0.88 ITGA5 (0.44) ITGA5ITGB6ITGB8MAPK1TP53

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
US-11274092-B2 Potassium channel inhibitors ACESION PHARMA APS (DK) 2022-03-15 — — US claimed
US-20210188804-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2021-06-24 — — US claimed
CN-109153667-B Novel potassium channel inhibitors 阿塞西翁制药公司 2021-04-02 — — CN claimed
EP-3419973-B1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-04-08 — — EP claimed
US-11274092-B2 Potassium channel inhibitors ACESION PHARMA APS (DK) 2022-03-15 — — US disclosed
US-20210188804-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2021-06-24 — — US disclosed
US-20210188804-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2021-06-24 — — US disclosed
CN-109153667-B Novel potassium channel inhibitors 阿塞西翁制药公司 2021-04-02 — — CN disclosed
EP-3419973-B1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-04-08 — — 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-20210188804-A1 NOVEL POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNN2, KCNN1 TACR1 1319/4885ITGA5 3161/4885ITGB6 3120/4885
US-11274092-B2 Potassium channel inhibitors KCNJ2, KCNJ11, KCNJ1 TACR1 711/4885ITGA5 2293/4885ITGB6 2913/4885

“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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