SCHEMBL12081593

SCHEMBL12081593

Cn1c(=O)ccc2cc(OCCNCc3ccnc(CCc4cccnc4)c3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 10/20 0.57
▸ NAMPT P43490 1/20 0.44
▸ PPARG P37231 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ KCNJ5 P48544 2/20 0.39
▸ KCNJ3 P48549 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ GRM2 Q14416 2/20 0.38
▸ SCN8A Q9UQD0 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.37

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 SCHEMBL15986338 0.99 KCNA5 (0.56) KCNA5NAMPTPPARGCYP1A2CYP3A4
SCHEMBL12080835 0.97 KCNA5 (0.59) KCNA5NAMPTPPARGCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL15986366 0.97 KCNA5 (0.58) KCNA5NAMPTCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL12080656 0.93 KCNA5 (0.61) KCNA5NAMPTCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL12081078 0.91 KCNA5 (0.50) KCNA5NAMPTCYP1A2CYP3A4CYP2C9
SCHEMBL1238479 0.90 KCNA5 (0.66) KCNA5NAMPTPPARGCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL12081538 0.88 KCNA5 (0.53) KCNA5PPARGBACE1
SCHEMBL1239837 0.87 KCNA5 (0.65) KCNA5NAMPTPPARGCYP1A2CYP3A4
SCHEMBL15986302 0.87 KCNA5 (0.67) KCNA5NAMPTPPARGCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL12080285 0.87 KCNA5 (0.61) KCNA5NAMPTPPARGKCNJ5KCNJ3

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-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-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-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 3299/4885PPARG 2420/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885NAMPT 3299/4885PPARG 2420/4885
US-20120225866-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885NAMPT 3299/4885PPARG 2420/4885

“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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