SCHEMBL9959969

SCHEMBL9959969

Cn1c(=O)ccc2cc(OCCCNCCCn3ccnc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ KCNA5 P22460 3/20 0.48
▸ QPCT Q16769 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ LMNA P02545 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL1239784 0.81 KCNA5 (0.58) KCNA5KMT2AMEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL1237017 0.80 KCNA5 (0.67) HTTCYP19A1KCNA5QPCTKMT2A
SCHEMBL15986392 0.80 KCNA5 (0.57) KCNA5LMNASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1239408 0.79 KCNA5 (0.52) KCNA5KMT2AKDM4E
SCHEMBL9959971 0.79 KCNA5 (0.46) CYP19A1KCNA5CYP3A4
SCHEMBL1237165 0.78 KCNA5 (0.66) KCNA5KMT2AMEN1CYP1A2CYP3A4
SCHEMBL1239118 0.78 KCNA5 (0.64) KCNA5ALDH1A1CYP1A2CYP2C19
SCHEMBL7873831 0.77 HTT (0.79) HTTQPCTGAAKMT2ALMNA
SCHEMBL1239315 0.77 KCNA5 (0.56) KCNA5LMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL15986302 0.77 KCNA5 (0.67) KCNA5ALDH1A1CYP1A2CYP3A4CYP2C9

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 6 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

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 HTT 2869/4885CYP19A1 1666/4885KCNA5 9/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 HTT 2869/4885CYP19A1 1666/4885KCNA5 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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