SCHEMBL1239408

SCHEMBL1239408

CCN(CC)CCNCCCOc1ccc2c(ccc(=O)n2C)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 7/20 0.52
▸ KDM4E B2RXH2 1/20 0.41
▸ BRPF1 P55201 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ MAOB P27338 3/20 0.40
▸ APP P05067 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL1239690 0.81 HRH3 (0.52) KCNA5KDM4EKMT2ASIGMAR1MAOB
SCHEMBL1238586 0.79 HRH3 (0.48) KCNA5SIGMAR1MAOBHRH3MAOA
SCHEMBL9959969 0.79 HTT (0.50) KCNA5KDM4EKMT2A
SCHEMBL15809012 0.78 KCNA5 (0.55) KCNA5KDM4EKMT2AMAOB
SCHEMBL1239784 0.78 KCNA5 (0.58) KCNA5BRPF1KMT2AHRH3
SCHEMBL15809369 0.78 KCNA5 (0.43) KCNA5MAPTKMT2A
Hydrochloric Acid SCHEMBL15809507 0.77 KCNA5 (0.73) KCNA5
SCHEMBL15986392 0.77 KCNA5 (0.57) KCNA5BRPF1MAOBHRH3MAOA
SCHEMBL12080777 0.77 KCNA5 (0.54) KCNA5KDM4EBRPF1KMT2AHRH3
SCHEMBL1239118 0.77 KCNA5 (0.64) KCNA5MAOBHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212187-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-15 — — US disclosed
US-20140343277-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARCACEUTICAL CO LTD (JP) 2014-11-20 — — US disclosed
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARMA CO LTD (JP) 2014-11-20 — — US disclosed
US-8822453-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 — — US disclosed
EP-2746272-A1 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-25 — — EP disclosed
EP-2467364-A2 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION Otsuka Pharmaceutical Co., Ltd. (JP) 2012-06-27 — — EP disclosed
WO-2011021726-A2 NITROGEN-CONTAINING COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-02-24 — — 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-20140343277-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885KDM4E 1288/4885BRPF1 2093/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885KDM4E 1288/4885BRPF1 2093/4885

“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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