SCHEMBL1635510

SCHEMBL1635510

COC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.52
NR1H3 Q13133 3/20 0.52
AGTR2 P50052 1/20 0.48
KLK5 Q9Y337 1/20 0.46
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
KLK7 P49862 1/20 0.44
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
GPR119 Q8TDV5 1/20 0.42
STS P08842 1/20 0.42
FKBP1A P62942 1/20 0.42

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
SCHEMBL1393680 1.00 NR1H2 (0.52) NR1H2NR1H3AGTR2KLK5MMP1
SCHEMBL1950995 0.91 NR1H2 (0.46) NR1H2NR1H3KLK5KLK7GPR119
SCHEMBL12549137 0.91 NR1H2 (0.46) NR1H2NR1H3KLK5KLK7GPR119
SCHEMBL565036 0.90 AGTR2 (0.60) NR1H2NR1H3AGTR2MMP1MMP3
SCHEMBL1634212 0.90 AGTR2 (0.60) NR1H2NR1H3AGTR2MMP1MMP3
SCHEMBL21886385 0.89 NR1H2 (0.50) NR1H2NR1H3AGTR2KLK5KLK7
SCHEMBL15147916 0.89 NR1H2 (0.50) NR1H2NR1H3AGTR2KLK5KLK7
SCHEMBL16881322 0.88 NR1H2 (0.46) NR1H2NR1H3AGTR2KLK5MMP1
SCHEMBL8239010 0.85 AGTR2 (0.50) NR1H2NR1H3AGTR2MMP1MMP3
SCHEMBL22904183 0.85 NR1H2 (0.47) NR1H2NR1H3KLK5KLK7FKBP1A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2807153-B1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE NOVARTIS AG (CH) 2020-03-25 EP disclosed
US-9708275-B2 Heterocyclic compounds and methods for their use NOVARTIS AG (CH) 2017-07-18 US disclosed
US-9708275-B2 Heterocyclic compounds and methods for their use NOVARTIS AG (CH) 2017-07-18 US disclosed
US-20160257656-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2016-09-08 US disclosed
US-20160257656-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2016-09-08 US disclosed
US-20150011565-A1 Heterocyclic Compounds and Methods For Their Use NOVARTIS AG (CH) 2015-01-08 US disclosed
US-20150011565-A1 Heterocyclic Compounds and Methods For Their Use NOVARTIS AG (CH) 2015-01-08 US disclosed
WO-2013110134-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-08-01 WO disclosed
US-20110183955-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators NOVARTIS AG (CH) 2011-07-28 US disclosed
US-20110183955-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators NOVARTIS AG (CH) 2011-07-28 US disclosed
US-7932255-B2 Controlling cell proliferation NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932255-B2 Controlling cell proliferation NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932255-B2 Controlling cell proliferation NOVARTIS AG (CH) 2011-04-26 US disclosed
EP-1874748-B1 2 -AMINOCARBONYL SUBSTITUTED PIPERAZINE OR DIAZA-CYCLIC COMPOUNDS AS APOPTOSIS PROTEIN INHIBITOR (IAP) MODULATORS NOVARTIS AG (CH) 2009-08-12 EP disclosed
EP-1874748-B1 2 -AMINOCARBONYL SUBSTITUTED PIPERAZINE OR DIAZA-CYCLIC COMPOUNDS AS APOPTOSIS PROTEIN INHIBITOR (IAP) MODULATORS NOVARTIS AG (CH) 2009-08-12 EP disclosed
US-20080207630-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators ECKL ROBERT 2008-08-28 US disclosed
US-20080207630-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators ECKL ROBERT 2008-08-28 US disclosed
US-20080207630-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators ECKL ROBERT 2008-08-28 US disclosed
EP-1874748-A1 2 -AMINOCARBONYL SUBSTITUTED PIPERAZINE OR DIAZA-CYCLIC COMPOUNDS AS APOPTOSIS PROTEIN INHIBITOR (IAP) MODULATORS Novartis AG (CH) 2008-01-09 EP disclosed
WO-2006113376-A1 2 -AMINOCARBONYL SUBSTITUTED PIPERAZINE OR DIAZA-CYCLIC COMPOUNDS AS APOPTOSIS PROTEIN INHIBITOR (IAP) MODULATORS NOVARTIS AG (CH) 2006-10-26 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-20160257656-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE AGTR2, AGTR1, BDKRB2 NR1H2 1059/4885NR1H3 1582/4885AGTR2 1/4885
US-20150011565-A1 Heterocyclic Compounds and Methods For Their Use AGTR2, AGTR1, BDKRB2 NR1H2 1075/4885NR1H3 1589/4885AGTR2 1/4885
US-20080207630-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators API5, BCL2, BIRC5 NR1H2 4430/4885NR1H3 4726/4885AGTR2 403/4885
US-20110183955-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators API5, BCL2, BIRC5 NR1H2 4430/4885NR1H3 4726/4885AGTR2 403/4885

“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.