SCHEMBL12081279

SCHEMBL12081279

Cn1c(=O)ccc2cc(OCCNC(CCc3cccnc3)c3cccnc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 12/20 0.59
▸ NAMPT P43490 1/20 0.42
▸ GRM2 Q14416 2/20 0.38
▸ KCNJ5 P48544 4/20 0.38
▸ KCNJ3 P48549 4/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ ITGB3 P05106 1/20 0.35
▸ ITGAV P06756 1/20 0.35
▸ ITGB5 P18084 1/20 0.35

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
Hydrochloric Acid SCHEMBL15986287 0.99 KCNA5 (0.59) KCNA5NAMPTGRM2KCNJ5KCNJ3
SCHEMBL12081591 0.94 KCNA5 (0.56) KCNA5NAMPTGRM2KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL15986337 0.93 KCNA5 (0.56) KCNA5NAMPTGRM2KCNJ5KCNJ3
SCHEMBL12080832 0.92 KCNA5 (0.58) KCNA5NAMPTGRM2KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL15986365 0.91 KCNA5 (0.57) KCNA5NAMPTGRM2KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL12081076 0.85 KCNA5 (0.49) KCNA5NAMPTGRM2KCNJ5KCNJ3
SCHEMBL1239839 0.85 KCNA5 (0.58) KCNA5NAMPTGRIN1GRIN2BITGB3
Hydrochloric Acid SCHEMBL12080707 0.84 KCNA5 (0.56) KCNA5NAMPTKCNJ5KCNJ3ITGB3
SCHEMBL1239837 0.84 KCNA5 (0.65) KCNA5NAMPTGRM2KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL15986381 0.83 KCNA5 (0.43) KCNA5NAMPTKCNJ5KCNJ3GRIN1

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 5 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
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

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 9/4885NAMPT 3299/4885GRM2 1048/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885NAMPT 3299/4885GRM2 1048/4885
US-20120225866-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885NAMPT 3299/4885GRM2 1048/4885

“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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