SCHEMBL1238646

SCHEMBL1238646

Cn1c(=O)ccc2cc(OCCCNCCN3CCC(OCc4ccncc4)CC3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 7/20 0.47
▸ CARM1 Q86X55 10/20 0.41
▸ PRMT6 Q96LA8 10/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ PRMT8 Q9NR22 1/20 0.40
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 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
SCHEMBL1237821 0.90 KCNA5 (0.55) KCNA5CARM1PRMT6HRH3TMEM97
SCHEMBL1238599 0.88 KCNA5 (0.53) KCNA5CARM1PRMT6HRH3CYP2D6
SCHEMBL1238816 0.85 KCNA5 (0.62) KCNA5HRH3CYP2D6
Hydrochloric Acid SCHEMBL15809193 0.85 KCNA5 (0.61) KCNA5HRH3CYP2D6
SCHEMBL1239784 0.81 KCNA5 (0.58) KCNA5HRH3CYP2D6
SCHEMBL1239034 0.81 KCNA5 (0.66) KCNA5
Hydrochloric Acid SCHEMBL15809259 0.80 KCNA5 (0.65) KCNA5
SCHEMBL1239690 0.80 HRH3 (0.52) KCNA5HRH3CYP2D6SIGMAR1MAOA
SCHEMBL1238586 0.80 HRH3 (0.48) KCNA5HRH3SIGMAR1MAOAMAOB
SCHEMBL15986392 0.80 KCNA5 (0.57) KCNA5HRH3CYP2D6MAOAMAOB

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-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-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-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 9/4885CARM1 3620/4885PRMT6 2174/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885CARM1 3620/4885PRMT6 2174/4885

“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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