SCHEMBL3515743

SCHEMBL3515743

CN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCNCCc3cccnc3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 16/20 0.66
▸ KCNJ5 P48544 16/20 0.66
▸ KCNJ3 P48549 16/20 0.66
▸ NAMPT P43490 1/20 0.43
▸ SCN8A Q9UQD0 1/20 0.41

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
SCHEMBL3516576 0.93 KCNA5 (0.70) KCNA5KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL3517220 0.92 KCNA5 (0.70) KCNA5KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL3516057 0.92 KCNA5 (0.70) KCNA5KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL3515693 0.88 KCNA5 (0.63) KCNA5KCNJ5KCNJ3SCN8A
SCHEMBL3516577 0.85 KCNA5 (0.68) KCNA5KCNJ5KCNJ3
SCHEMBL15752081 0.83 KCNA5 (0.62) KCNA5KCNJ5KCNJ3NAMPT
Hydrochloric Acid SCHEMBL3515686 0.83 KCNA5 (0.64) KCNA5KCNJ5KCNJ3NAMPT
SCHEMBL3520280 0.83 KCNA5 (0.65) KCNA5KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL3519341 0.82 KCNA5 (0.66) KCNA5KCNJ5KCNJ3
SCHEMBL15752011 0.82 KCNA5 (0.65) KCNA5KCNJ5KCNJ3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254873-B1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2014-06-04 — — EP disclosed
US-8664217-B2 Benzodiazepine compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 — — US disclosed
US-20130040941-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. 2013-02-14 — — US disclosed
US-8338406-B2 Benzodiazepine compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-12-25 — — US disclosed
US-20100331317-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-30 — — US 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-20100331317-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION KCNA5, KCNA1, KCNAB1 KCNA5 1/4885KCNJ5 12/4885KCNJ3 35/4885
US-20130040941-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION KCNA5, KCNA1, KCNAB1 KCNA5 1/4885KCNJ5 12/4885KCNJ3 35/4885

“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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