SCHEMBL1239690

SCHEMBL1239690

CN1CCN(CCNCCCOc2ccc3c(ccc(=O)n3C)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ KCNA5 P22460 5/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ SIGMAR1 Q99720 4/20 0.42
▸ XDH P47989 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PRKDC P78527 2/20 0.39
▸ BCHE P06276 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL1238586 0.91 HRH3 (0.48) HRH3KCNA5SIGMAR1BCHEMAOA
SCHEMBL1239408 0.81 KCNA5 (0.52) HRH3DRD3KCNA5KMT2ASIGMAR1
SCHEMBL1238646 0.80 KCNA5 (0.47) HRH3KCNA5CYP2D6SIGMAR1MAOA
SCHEMBL1239784 0.77 KCNA5 (0.58) HRH3KCNA5KMT2ACYP2D6ALDH1A1
SCHEMBL1237821 0.77 KCNA5 (0.55) HRH3KCNA5SIGMAR1MAOAMAOB
SCHEMBL15809369 0.77 KCNA5 (0.43) KCNA5KMT2ACYP2D6ALDH1A1HPGD
SCHEMBL15986392 0.76 KCNA5 (0.57) HRH3KCNA5CYP2D6ALDH1A1BCHE
SCHEMBL12080777 0.76 KCNA5 (0.54) HRH3KCNA5KMT2ACYP2D6KDM4E
SCHEMBL9959969 0.76 HTT (0.50) KCNA5KMT2ACYP2D6ALDH1A1KDM4E
SCHEMBL1239118 0.76 KCNA5 (0.64) HRH3KCNA5ALDH1A1MAOB

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 7 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
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 (2 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 HRH3 484/4885DRD3 1450/4885KCNA5 9/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 HRH3 484/4885DRD3 1450/4885KCNA5 9/4885

“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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