SCHEMBL12080832

SCHEMBL12080832

Cn1c(=O)ccc2cc(OCCCNC(CCc3cccnc3)c3ccncc3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 14/20 0.58
▸ NAMPT P43490 1/20 0.41
▸ KCNJ5 P48544 5/20 0.40
▸ KCNJ3 P48549 5/20 0.40
▸ GRM2 Q14416 2/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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 SCHEMBL15986365 0.99 KCNA5 (0.57) KCNA5NAMPTKCNJ5KCNJ3GRM2
SCHEMBL12081591 0.97 KCNA5 (0.56) KCNA5NAMPTKCNJ5KCNJ3GRM2
Hydrochloric Acid SCHEMBL15986337 0.97 KCNA5 (0.56) KCNA5NAMPTKCNJ5KCNJ3GRM2
Hydrochloric Acid SCHEMBL12081076 0.93 KCNA5 (0.49) KCNA5NAMPTKCNJ5KCNJ3GRM2
Hydrochloric Acid SCHEMBL12081536 0.92 KCNA5 (0.53) KCNA5
SCHEMBL12081279 0.92 KCNA5 (0.59) KCNA5NAMPTKCNJ5KCNJ3GRM2
Hydrochloric Acid SCHEMBL15986287 0.91 KCNA5 (0.59) KCNA5NAMPTKCNJ5KCNJ3GRM2
Hydrochloric Acid SCHEMBL12080284 0.90 KCNA5 (0.63) KCNA5NAMPTKCNJ5KCNJ3GRM2
Hydrochloric Acid SCHEMBL12079541 0.87 KCNA5 (0.52) KCNA5NAMPTKCNJ5KCNJ3GRM2
Hydrochloric Acid SCHEMBL15986299 0.86 KCNA5 (0.41) KCNA5NAMPTKCNJ5KCNJ3GRM2

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 3299/4885KCNJ5 17/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885NAMPT 3299/4885KCNJ5 17/4885
US-20120225866-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885NAMPT 3299/4885KCNJ5 17/4885

“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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