SCHEMBL1238189

SCHEMBL1238189

Cn1c(=O)ccc2cc(OCCCCN)ccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 6/20 0.54
▸ BRPF1 P55201 5/20 0.51
▸ KCNA3 P22001 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ KAT2B Q92831 1/20 0.41
▸ BRD9 Q9H8M2 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ ALOX5 P09917 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40

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
SCHEMBL1238251 0.96 KCNA5 (0.53) KCNA5BRPF1KCNA3CYP2D6HRH3
SCHEMBL1238357 0.92 BRPF1 (0.54) KCNA5BRPF1CYP2D6HRH3CA12
SCHEMBL12080777 0.86 KCNA5 (0.54) KCNA5BRPF1KCNA3CYP2D6HRH3
SCHEMBL1237022 0.85 KCNA5 (0.59) KCNA5BRPF1KCNA3CYP2D6HRH3
SCHEMBL1238359 0.84 KCNA5 (0.53) KCNA5BRPF1KCNA3CYP2D6HRH3
SCHEMBL1236983 0.83 KCNA5 (0.51) KCNA5BRPF1CYP2D6HRH3CA12
SCHEMBL19231464 0.81 BRPF1 (0.45) KCNA5BRPF1KCNA3CYP2D6HRH3
SCHEMBL15809257 0.81 PDE3B (0.59) KCNA5BRPF1KDM4EMEN1KMT2A
SCHEMBL30086904 0.81 PDE3B (0.59) KCNA5BRPF1KDM4EMEN1KMT2A
SCHEMBL15986369 0.81 KCNA5 (0.49) KCNA5BRPF1CYP2D6HRH3CA12

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 8 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
US-20120225866-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 — — US 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 (3 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 9/4885BRPF1 2093/4885KCNA3 28/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885BRPF1 2093/4885KCNA3 28/4885
US-20120225866-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885BRPF1 2093/4885KCNA3 28/4885

“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