SCHEMBL803600

SCHEMBL803600

CN(C)c1ncc2c(n1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
HSP90AA1 P07900 4/20 0.53
ESR2 Q92731 1/20 0.47
NR1H2 P55055 2/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
PDGFRB P09619 1/20 0.43
ENPP2 Q13822 1/20 0.43
MAPK1 P28482 1/20 0.41
TLR9 Q9NR96 1/20 0.41
GRAMD1A Q96CP6 1/20 0.41
HPGDS O60760 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
MAP3K5 Q99683 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39

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
SCHEMBL12719902 0.92 MAPT (0.53) MAPTHSP90AA1ESR2NR1H2DDB1
SCHEMBL18818608 0.89 DDB1 (0.53) MAPTHSP90AA1ESR2NR1H2DDB1
SCHEMBL15883220 0.84 MAPT (0.56) MAPTHSP90AA1ESR2NR1H2DDB1
SCHEMBL4869824 0.84 MAPT (0.67) MAPTHSP90AA1ESR2NR1H2DDB1
SCHEMBL30378007 0.84 MAPT (0.67) MAPTHSP90AA1ESR2NR1H2DDB1
SCHEMBL25574538 0.84 MAPT (0.67) MAPTHSP90AA1ESR2NR1H2DDB1
SCHEMBL3530060 0.83 MAPT (0.65) MAPTESR2NR1H2DDB1CRBN
SCHEMBL19475563 0.83 MAPT (0.65) MAPTHSP90AA1ESR2NR1H2DDB1
SCHEMBL29757600 0.83 MAPT (0.65) MAPTHSP90AA1ESR2NR1H2DDB1
SCHEMBL17183931 0.83 MAPT (0.65) MAPTHSP90AA1ESR2NR1H2DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 MAPT 3149/4885HSP90AA1 2767/4885ESR2 1409/4885

“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.