SCHEMBL554433

SCHEMBL554433

CC(C)(C)OC(=O)c1ccc(N2CCC([C@@H](C#N)c3ccccc3-c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 13/20 0.46
BCL2L1 Q07817 12/20 0.46
GPR119 Q8TDV5 4/20 0.40
BAK1 Q16611 2/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL554607 1.00 BCL2 (0.46) BCL2BCL2L1GPR119BAK1HTT
SCHEMBL554432 1.00 BCL2 (0.46) BCL2BCL2L1GPR119BAK1HTT
SCHEMBL10225261 0.89 BCL2 (0.45) BCL2BCL2L1BAK1HTTSMN1; SMN2
SCHEMBL10225260 0.89 BCL2 (0.45) BCL2BCL2L1BAK1HTTSMN1; SMN2
SCHEMBL10225272 0.89 BCL2 (0.45) BCL2BCL2L1BAK1HTTSMN1; SMN2
SCHEMBL554868 0.86 BCL2 (0.47) BCL2BCL2L1BAK1CNR1CNR2
SCHEMBL554243 0.86 BCL2 (0.47) BCL2BCL2L1BAK1CNR1CNR2
SCHEMBL554242 0.86 BCL2 (0.47) BCL2BCL2L1BAK1CNR1CNR2
Hydrochloric Acid SCHEMBL555336 0.85 BCL2 (0.47) BCL2BCL2L1BAK1CNR1CNR2
Hydrochloric Acid SCHEMBL555006 0.85 BCL2 (0.47) BCL2BCL2L1BAK1CNR1CNR2

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 15 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-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-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
EP-2601177-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AstraZeneca AB (SE) 2013-06-12 EP 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
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 BCL2 1/4885BCL2L1 2/4885GPR119 1186/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX BCL2 1/4885BCL2L1 2/4885GPR119 1186/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX BCL2 1/4885BCL2L1 2/4885GPR119 1186/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 BCL2 1/4885BCL2L1 6/4885GPR119 2239/4885

“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.