SCHEMBL554690

SCHEMBL554690

CC(C)(C)OC(=O)N1CCC([C@@H](C#N)c2ccccc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CACNB4 O00305 2/20 0.45
CACNA1A O00555 2/20 0.45
CACNA1G O43497 2/20 0.45
CACNG3 O60359 2/20 0.45
CACNA1F O60840 2/20 0.45
CACNA1H O95180 2/20 0.45
CACNB3 P54284 2/20 0.45
CACNA2D1 P54289 2/20 0.45
CACNG7 P62955 2/20 0.45
CACNA1B Q00975 2/20 0.45
CACNA1D Q01668 2/20 0.45
CACNB1 Q02641 2/20 0.45
CACNG1 Q06432 2/20 0.45
CACNB2 Q08289 2/20 0.45
CACNA1S Q13698 2/20 0.45
CACNA1C Q13936 2/20 0.45
CACNA1E Q15878 2/20 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
SCHEMBL553509 1.00 GPR119 (0.49) GPR119MEN1KMT2ACACNB4CACNA1A
SCHEMBL553508 1.00 GPR119 (0.49) GPR119MEN1KMT2ACACNB4CACNA1A
SCHEMBL553728 0.86 MEN1 (0.50) GPR119MEN1KMT2ACACNB4CACNA1A
SCHEMBL554530 0.86 MEN1 (0.50) GPR119MEN1KMT2ACACNB4CACNA1A
SCHEMBL31450899 0.86 MEN1 (0.50) GPR119MEN1KMT2ACACNB4CACNA1A
SCHEMBL553729 0.86 MEN1 (0.50) GPR119MEN1KMT2ACACNB4CACNA1A
SCHEMBL570865 0.84 MGLL (0.42) MEN1KMT2A
SCHEMBL554607 0.83 BCL2 (0.46) GPR119NPSR1
SCHEMBL554433 0.83 BCL2 (0.46) GPR119NPSR1
SCHEMBL554432 0.83 BCL2 (0.46) GPR119NPSR1

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-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 US disclosed
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 US disclosed
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 US disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 US disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 US disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 US disclosed
US-20150328239-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-11-19 US disclosed
US-20150328239-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-11-19 US disclosed
US-20150328239-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-11-19 US disclosed
US-9018381-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-9018381-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-9018381-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 US disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 US disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 US disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 US disclosed
WO-2012017251-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2012-02-09 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 (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-20120035134-A1 CHEMICAL COMPOUNDS BCL2, BCL2L1, BAX GPR119 1186/4885MEN1 2368/4885KMT2A 2562/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX GPR119 1186/4885MEN1 2368/4885KMT2A 2562/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX GPR119 1186/4885MEN1 2368/4885KMT2A 2562/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 GPR119 2239/4885MEN1 4724/4885KMT2A 1548/4885

“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.