SCHEMBL19283577

SCHEMBL19283577

CN1CCN(C(=O)CC(Nc2nc3ccccc3[nH]2)c2cccc(C(F)(F)F)c2)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA5 P08648 1/20 0.51
▸ ITGB6 P18564 1/20 0.51
▸ ITGB8 P26012 1/20 0.51
▸ CACNA2D1 P54289 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ CACNB1 Q02641 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ PHGDH O43175 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ELANE P08246 1/20 0.37
▸ PRLHR P49683 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ HRH4 Q9H3N8 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
SCHEMBL19301133 0.87 ITGA5 (0.51) ITGA5ITGB6ITGB8CACNA2D1CACNA1B
SCHEMBL19283598 0.84 ITGA5 (0.48) ITGA5ITGB6ITGB8CACNA2D1CACNA1B
SCHEMBL19283529 0.83 ITGA5 (0.48) ITGA5ITGB6ITGB8CACNA2D1CACNA1B
SCHEMBL19283527 0.82 ITGA5 (0.47) ITGA5ITGB6ITGB8CACNA2D1CACNA1B
SCHEMBL19283550 0.82 ITGA5 (0.47) ITGA5ITGB6ITGB8CACNA2D1CACNA1B
SCHEMBL19301231 0.82 ITGA5 (0.46) ITGA5ITGB6ITGB8CACNA2D1CACNA1B
SCHEMBL19283587 0.81 ITGA5 (0.46) ITGA5ITGB6ITGB8CACNA2D1CACNA1B
SCHEMBL19283613 0.80 ITGB6 (0.55) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL20743761 0.79 NPC1 (0.47) ITGA5ITGB6ITGB8RAF1BRAF
SCHEMBL19283637 0.79 ITGA5 (0.47) ITGA5ITGB6ITGB8RAF1BRAF

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 11 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
EP-3419973-B1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-04-08 — — EP claimed
EP-3419973-A1 NOVEL POTASSIUM CHANNEL INHIBITORS Acesion Pharma ApS (DK) 2019-01-02 — — EP claimed
WO-2017144183-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2017-08-31 — — WO 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
EP-3419973-B1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-04-08 — — EP disclosed
EP-3419973-A1 NOVEL POTASSIUM CHANNEL INHIBITORS Acesion Pharma ApS (DK) 2019-01-02 — — EP disclosed
WO-2017144183-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2017-08-31 — — 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 (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 ITGA5 3161/4885ITGB6 3120/4885ITGB8 3935/4885
US-11274092-B2 Potassium channel inhibitors KCNJ2, KCNJ11, KCNJ1 ITGA5 2293/4885ITGB6 2913/4885ITGB8 3978/4885

“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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