SCHEMBL3815944

SCHEMBL3815944

O=C(O)[C@@H]1CN(Cc2ccccc2)CCN1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.56
GRIN3B O60391 3/20 0.56
GRIN1 Q05586 3/20 0.56
GRIN2A Q12879 3/20 0.56
GRIN2B Q13224 3/20 0.56
GRIN2C Q14957 3/20 0.56
GRIN3A Q8TCU5 3/20 0.56
MAPT P10636 1/20 0.54
SIGMAR1 Q99720 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR5 Q9H228 1/20 0.50
LTA4H P09960 1/20 0.49
THRB P10828 2/20 0.49
ALOX15 P16050 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL16714074 1.00 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3815948 1.00 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27780998 0.91 SIGMAR1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7808456 0.88 SIGMAR1 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28036651 0.86 SIGMAR1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27779058 0.85 ALDH1A1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27778860 0.85 ALDH1A1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27778861 0.85 ALDH1A1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21034953 0.85 S1PR5 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21035328 0.85 S1PR5 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101160297-B 2-aminocarbonyl substituted piperazine or diaza-cyclic compounds as apoptosis protein inhibitor (IAP) modulators NOVARTIS AG 2011-07-27 CN 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
CN-101160297-A 2-aminocarbonyl substituted piperazine or diaza-cyclic compounds as apoptosis protein inhibitor (iap) modulators NOVARTIS AG (CH) 2008-04-09 CN 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 (1 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-20080207630-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators API5, BCL2, BIRC5 GRIN2D 3848/4885GRIN3B 4501/4885GRIN1 4276/4885

“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.