SCHEMBL1239315

SCHEMBL1239315

Cn1c(=O)ccc2cc(OCCCCNCc3ccncc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 8/20 0.56
▸ MAOA P21397 2/20 0.42
▸ MAOB P27338 2/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ P4HB P07237 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ KCNJ5 P48544 1/20 0.38
▸ KCNJ3 P48549 1/20 0.38
▸ BRPF1 P55201 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL15986392 0.97 KCNA5 (0.57) KCNA5MAOAMAOBBCHEACHE
SCHEMBL1238562 0.94 KCNA5 (0.55) KCNA5MAOAMAOBPPARGALDH1A1
SCHEMBL1239365 0.88 KCNA5 (0.69) KCNA5MAOAMAOBBCHEACHE
SCHEMBL1239784 0.87 KCNA5 (0.58) KCNA5ALDH1A1POLBBRPF1
SCHEMBL12080668 0.87 KCNA5 (0.70) KCNA5MAOAMAOBBCHEACHE
Hydrochloric Acid SCHEMBL1238233 0.85 KCNA5 (0.51) KCNA5MAOAMAOBBCHEACHE
SCHEMBL15986302 0.85 KCNA5 (0.67) KCNA5PPARGALDH1A1POLB
Hydrochloric Acid SCHEMBL12080709 0.82 KCNA5 (0.52) KCNA5MAOAMAOBBCHEACHE
SCHEMBL1238303 0.82 KCNA5 (0.51) KCNA5PPARGPOLBSLC2A1
Hydrochloric Acid SCHEMBL12080656 0.81 KCNA5 (0.61) KCNA5MAOAMAOBBCHEACHE

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 9/4885MAOA 1173/4885MAOB 650/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885MAOA 1173/4885MAOB 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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