SCHEMBL1238540

SCHEMBL1238540

Cn1c(=O)ccc2cc(OCCCNC(c3ccncc3)C3CCNCC3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 7/20 0.44
▸ HRH3 Q9Y5N1 5/20 0.37
▸ ITGB3 P05106 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ AKT1 P31749 4/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ BRPF1 P55201 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ P2RY12 Q9H244 1/20 0.33

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
SCHEMBL1238297 0.78 KCNA5 (0.47) KCNA5HRH3ITGB3ITGAVCYP2D6
Hydrochloric Acid SCHEMBL15986397 0.77 KCNA5 (0.47) KCNA5HRH3ITGB3ITGAVCYP2D6
SCHEMBL1238543 0.76 KCNA5 (0.58) KCNA5HRH3CYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL12081536 0.74 KCNA5 (0.53) KCNA5ITGB3ITGAV
SCHEMBL15986392 0.74 KCNA5 (0.57) KCNA5HRH3CYP2D6BRPF1
Hydrochloric Acid SCHEMBL12080922 0.73 KCNA5 (0.62) KCNA5HRH3ITGB3ITGAVPDE3B
SCHEMBL12080832 0.73 KCNA5 (0.58) KCNA5
SCHEMBL1239784 0.73 KCNA5 (0.58) KCNA5HRH3CYP2D6BRPF1PDE3B
SCHEMBL1238562 0.72 KCNA5 (0.55) KCNA5HRH3CYP2D6BRPF1
Hydrochloric Acid SCHEMBL15986365 0.72 KCNA5 (0.57) KCNA5

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 9/4885HRH3 484/4885ITGB3 3264/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885HRH3 484/4885ITGB3 3264/4885

“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.

Send feedback