SCHEMBL3274071

SCHEMBL3274071

N#CC1CCCC(C#N)N1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
PREP P48147 5/20 0.41
ALDH1A1 P00352 1/20 0.41
ACHE P22303 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL1488909 0.89 LTA4H (0.45) DPP4DPP8DPP9DPP7CHRM2
SCHEMBL2435647 0.79 DPP4 (0.49) DPP4DPP8DPP9DPP7PREP
SCHEMBL519227 0.78 DPP4 (0.45) DPP4DPP8DPP9DPP7
SCHEMBL6618554 0.77 LMNA (0.50) CHRM2CHRM4CHRM5ALDH1A1
SCHEMBL6618555 0.77 LMNA (0.50) CHRM2CHRM4CHRM5ALDH1A1
SCHEMBL10500589 0.77 CHRM2 (0.52) CHRM2CHRM4CHRM5ALDH1A1ACHE
SCHEMBL4870895 0.75 CHRM2 (0.60) CHRM2CHRM4CHRM5ALDH1A1SIGMAR1
SCHEMBL8301669 0.75 DPP4 (0.47) DPP4DPP8DPP9DPP7CHRM2
SCHEMBL3170475 0.75 DPP4 (0.47) DPP4DPP8DPP9DPP7CHRM2
SCHEMBL9677809 0.74 MAPT (0.44) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60190762-A None JP disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-8071773-B2 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTISAG (CH) 2011-12-06 US 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-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-7803792-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2010-09-28 US disclosed
EP-1885724-B1 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-06-23 EP disclosed
US-20090111840-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2009-04-30 US disclosed
EP-1885724-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS Speedel Experimenta AG (CH) 2008-02-13 EP disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 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
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
WO-2006128853-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-12-07 WO disclosed
JP-S60190762-A 1-SUBSTITUTED-2,6-DICYANOPIPERIDINE DERIVATIVE SANPO KAGAKU KENKYUSHO:KK 1985-09-28 JP 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 (4 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 DPP4 813/4885DPP8 999/4885DPP9 423/4885
US-20090111840-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 DPP4 3146/4885DPP8 2833/4885DPP9 1971/4885
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 DPP4 1763/4885DPP8 1455/4885DPP9 2077/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 DPP4 815/4885DPP8 730/4885DPP9 1005/4885

“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.