SCHEMBL1238586

SCHEMBL1238586

Cn1c(=O)ccc2cc(OCCCNCCN3CCCCC3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.48
▸ MAPK14 Q16539 4/20 0.47
▸ MAOB P27338 2/20 0.47
▸ BCHE P06276 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ HTR3A P46098 2/20 0.44
▸ KCNA5 P22460 1/20 0.44
▸ SCN7A Q01118 1/20 0.44
▸ SCN5A Q14524 1/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ SCN8A Q9UQD0 1/20 0.44

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 0.91 HRH3 (0.52) HRH3MAOBBCHEMAOAACHE
SCHEMBL1238646 0.80 KCNA5 (0.47) HRH3MAOBMAOASIGMAR1KCNA5
SCHEMBL1239408 0.79 KCNA5 (0.52) HRH3MAOBMAOASIGMAR1KCNA5
SCHEMBL1239784 0.77 KCNA5 (0.58) HRH3KCNA5
SCHEMBL1237821 0.77 KCNA5 (0.55) HRH3MAOBMAOASIGMAR1KCNA5
SCHEMBL15809369 0.77 KCNA5 (0.43) KCNA5
SCHEMBL15986392 0.76 KCNA5 (0.57) HRH3MAOBBCHEMAOAACHE
SCHEMBL12080777 0.76 KCNA5 (0.54) HRH3KCNA5
SCHEMBL9959969 0.76 HTT (0.50) KCNA5
SCHEMBL1239118 0.76 KCNA5 (0.64) HRH3MAOBKCNA5SCN8A

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 HRH3 484/4885MAPK14 1895/4885MAOB 650/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 HRH3 484/4885MAPK14 1895/4885MAOB 650/4885

“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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