SCHEMBL349629

SCHEMBL349629

CCCCC(N)(CCCC)CSc1ccc(F)cc1C(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 2/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
MAPK14 Q16539 2/20 0.33
CHRNA7 P36544 1/20 0.33
PTGS2 P35354 1/20 0.33
CNR2 P34972 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK9 P50750 1/20 0.33
LIMK1 P53667 1/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL8381457 0.81 RAB9A (0.38) LMNAMAPTCCNE2CCNE1CDK2
SCHEMBL12176671 0.78 HPGD (0.43) LMNAMAPTMAPK1HTTALDH1A1
SCHEMBL7476335 0.78 MAPT (0.40) LMNAMAPTMAPK1HTTPTGS2
SCHEMBL7476341 0.78 MAPT (0.40) LMNAMAPTMAPK1HTTPTGS2
SCHEMBL8692996 0.76 ALDH1A1 (0.37) LMNAMAPTCCNE2CCNE1CDK2
SCHEMBL17506159 0.75 LMNA (0.47) LMNAMAPTMAPK1HTTCNR2
SCHEMBL17506160 0.75 LMNA (0.47) LMNAMAPTMAPK1HTTCNR2
SCHEMBL7476808 0.74 ALDH1A1 (0.46) LMNAMAPTTSHRMAPK1HTT
SCHEMBL7476806 0.74 ALDH1A1 (0.46) LMNAMAPTTSHRMAPK1HTT
SCHEMBL8689510 0.74 CCNE2 (0.39) LMNAMAPTCCNE2CCNE1CDK2

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
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
US-20050009805-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-13 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 (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 DDR1 4437/4885LMNA 4674/4885MAPT 2591/4885
US-20050009805-A1 Novel quaternary ammonium compounds SLC10A1, GOT1, ACAT2 DDR1 4737/4885LMNA 3259/4885MAPT 2673/4885
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 DDR1 4724/4885LMNA 1909/4885MAPT 2927/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 DDR1 4658/4885LMNA 2785/4885MAPT 2335/4885

“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.