SCHEMBL12080668

SCHEMBL12080668

Cn1c(=O)ccc2cc(OCCCCCNCc3cccnc3)ccc21

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 7/20 0.70
▸ CHRM2 P08172 1/20 0.49
▸ NAMPT P43490 1/20 0.48
▸ SCN8A Q9UQD0 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HRH4 Q9H3N8 1/20 0.44
▸ BCHE P06276 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ NMT2 O60551 1/20 0.41
▸ NMT1 P30419 1/20 0.41

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
SCHEMBL1239365 0.99 KCNA5 (0.69) KCNA5CHRM2NAMPTSCN8ACYP1A2
SCHEMBL15986302 0.96 KCNA5 (0.67) KCNA5CHRM2NAMPTSCN8ACYP1A2
SCHEMBL1238479 0.93 KCNA5 (0.66) KCNA5NAMPTSCN8ACYP1A2CYP3A4
SCHEMBL1237263 0.91 KCNA5 (0.69) KCNA5CHRM2NAMPTCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1238284 0.91 KCNA5 (0.68) KCNA5CHRM2NAMPTCYP1A2CYP3A4
SCHEMBL1239156 0.90 KCNA5 (0.68) KCNA5CHRM2NAMPTCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL12080656 0.90 KCNA5 (0.61) KCNA5CHRM2NAMPTCYP1A2CYP3A4
SCHEMBL1237165 0.87 KCNA5 (0.66) KCNA5NAMPTSCN8ACYP1A2CYP3A4
SCHEMBL1239315 0.87 KCNA5 (0.56) KCNA5BCHEMAOAACHEMAOB
SCHEMBL12080835 0.87 KCNA5 (0.59) KCNA5NAMPTSCN8ACYP1A2CYP3A4

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-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
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

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 9/4885CHRM2 128/4885NAMPT 3299/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885CHRM2 128/4885NAMPT 3299/4885
US-20120225866-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885CHRM2 128/4885NAMPT 3299/4885

“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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