SCHEMBL1320949

SCHEMBL1320949

C/C(N)=C/C(=O)CCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
KDM1A O60341 1/20 0.36
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1320950 1.00 CA1 (0.43) CA1KDM1AGABRPGABRDGABRA1
SCHEMBL13219663 0.82 CA1 (0.46) CA1KDM1AGABRPGABRDGABRA1
SCHEMBL1320563 0.77 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL1320565 0.77 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL31531960 0.75 PAOX (0.41) ALDH1A1POLBTRPA1
SCHEMBL10817278 0.75
SCHEMBL10817279 0.75
SCHEMBL25722770 0.74 CA1 (0.33) CA1
SCHEMBL93311 0.72
SCHEMBL10813034 0.71 CES1 (0.44) CA1ALDH1A1POLBTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058447-B2 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-15 US disclosed
US-8058447-B2 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-15 US disclosed
US-8058447-B2 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-15 US disclosed
EP-1926727-B1 4-CHROMENONYL-1,4-DIHYDROPYRIDINECARBONITRILES AND THE USE THEREOF Bayer Pharma AG (DE) 2011-09-14 EP disclosed
US-7989633-B2 4-Chromenonyl-1,4-dihydropyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-02 US disclosed
US-7989633-B2 4-Chromenonyl-1,4-dihydropyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-02 US disclosed
US-20100022484-A1 4-Chromenonyl-1,4-dihydropyridines and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-28 US disclosed
US-20100022484-A1 4-Chromenonyl-1,4-dihydropyridines and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-28 US disclosed
US-20090214675-A1 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER HEALTHCARE AG (DE) 2009-08-27 US disclosed
US-20090214675-A1 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER HEALTHCARE AG (DE) 2009-08-27 US disclosed
US-20090214675-A1 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER HEALTHCARE AG (DE) 2009-08-27 US disclosed
EP-1926727-A1 4-CHROMENONYL-1,4-DIHYDROPYRIDINECARBONITRILES AND THE USE THEREOF Bayer HealthCare AG (DE) 2008-06-04 EP disclosed
EP-1910329-A1 4-CHROMENONYL-1,4-DIHYDROPYRIDINES AND THEIR USE Bayer HealthCare AG (DE) 2008-04-16 EP disclosed
WO-2007025604-A1 4-CHROMENONYL-1,4-DIHYDROPYRIDINES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-03-08 WO disclosed
WO-2007025604-A1 4-CHROMENONYL-1,4-DIHYDROPYRIDINES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-03-08 WO disclosed
WO-2007009670-A1 4-CHROMENONYL-1,4-DIHYDROPYRIDINECARBONITRILES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2007-01-25 WO disclosed
WO-2007009670-A1 4-CHROMENONYL-1,4-DIHYDROPYRIDINECARBONITRILES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2007-01-25 WO disclosed
WO-2005087740-A1 FLUORENONE 1, 4,-DIHYDROPYRIDIN DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-09-22 WO disclosed
WO-2005087740-A1 FLUORENONE 1, 4,-DIHYDROPYRIDIN DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-09-22 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-20100022484-A1 4-Chromenonyl-1,4-dihydropyridines and their use RYR1, RYR2, CACNA1S CA1 4277/4885KDM1A 2180/4885GABRP 3165/4885
US-20090214675-A1 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof RYR1, TNNI3, RYR2 CA1 4162/4885KDM1A 1981/4885GABRP 3256/4885

“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.