SCHEMBL349032

SCHEMBL349032

CCCCCN1CCC(Cc2ccccc2)CC1

nearest known ligand 0.97

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.97
CCR3 P51677 2/20 0.75
SIGMAR1 Q99720 2/20 0.75
PRMT6 Q96LA8 3/20 0.65
SLC6A2 P23975 2/20 0.65
SLC6A4 P31645 2/20 0.65
TMEM97 Q5BJF2 1/20 0.65
CARM1 Q86X55 2/20 0.65
PRMT3 O60678 1/20 0.65
PRMT1 Q99873 1/20 0.65
PRMT8 Q9NR22 1/20 0.65
HRH3 Q9Y5N1 1/20 0.63
GRIN2A Q12879 1/20 0.63
GRIN2B Q13224 1/20 0.63
NAAA Q02083 1/20 0.61

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
SCHEMBL867837 0.98 KCNH2 (1.00) KCNH2CCR3SIGMAR1PRMT6SLC6A2
Hydrochloric Acid SCHEMBL7321952 0.98 KCNH2 (0.94) KCNH2CCR3SIGMAR1PRMT6SLC6A2
SCHEMBL12040797 0.98 KCNH2 (1.00) KCNH2CCR3SIGMAR1PRMT6SLC6A2
SCHEMBL153896 0.95 KCNH2 (0.88) KCNH2CCR3SIGMAR1PRMT6SLC6A2
SCHEMBL12041264 0.91 KCNH2 (0.81) KCNH2CCR3SIGMAR1PRMT6SLC6A2
SCHEMBL12041389 0.90 KCNH2 (0.84) KCNH2CCR3SIGMAR1PRMT6SLC6A2
SCHEMBL12041391 0.90 KCNH2 (0.84) KCNH2CCR3SIGMAR1PRMT6SLC6A2
SCHEMBL12040811 0.90 KCNH2 (0.84) KCNH2CCR3SIGMAR1PRMT6SLC6A2
SCHEMBL12041393 0.90 KCNH2 (0.84) KCNH2CCR3SIGMAR1PRMT6SLC6A2
SCHEMBL12041232 0.89 KCNH2 (0.78) KCNH2CCR3SIGMAR1PRMT6SLC6A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 EP disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
CN-102293773-A Drug with benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORP 2011-12-28 CN disclosed
EP-1535913-B1 NOVEL QUATERNARY AMMONIUM COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2011-11-02 EP disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 US disclosed
US-7803792-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2010-09-28 US disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
EP-1719768-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2006-11-08 EP disclosed
CN-1678597-A Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORP (JP) 2005-10-05 CN disclosed
EP-1535913-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2005-06-01 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 (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-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 KCNH2 818/4885CCR3 4380/4885SIGMAR1 932/4885
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 KCNH2 1289/4885CCR3 4680/4885SIGMAR1 205/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 KCNH2 1355/4885CCR3 4379/4885SIGMAR1 161/4885

“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.