SCHEMBL3516593

SCHEMBL3516593

CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4occc4c3=O)Cc3cccnc3C)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 20/20 1.00
KCNJ5 P48544 19/20 1.00
KCNJ3 P48549 19/20 1.00

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
Hydrochloric Acid SCHEMBL3518073 0.97 KCNA5 (0.95) KCNA5KCNJ5KCNJ3
SCHEMBL15752226 0.97 KCNA5 (0.94) KCNA5KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL3519440 0.96 KCNA5 (0.92) KCNA5KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL3517905 0.92 KCNA5 (0.85) KCNA5KCNJ5KCNJ3
SCHEMBL3517334 0.91 KCNA5 (0.83) KCNA5KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL3520354 0.91 KCNA5 (0.83) KCNA5KCNJ5KCNJ3
SCHEMBL15752139 0.91 KCNA5 (0.99) KCNA5KCNJ5KCNJ3
SCHEMBL3516507 0.91 KCNA5 (0.85) KCNA5KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL3519475 0.90 KCNA5 (1.00) KCNA5KCNJ5KCNJ3
SCHEMBL12080621 0.90 KCNA5 (0.82) 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 10 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 claimed
US-8664217-B2 Benzodiazepine compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 US claimed
US-20130040941-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. 2013-02-14 US claimed
US-8338406-B2 Benzodiazepine compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-12-25 US claimed
US-20100331317-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-30 US claimed
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.