SCHEMBL785547

SCHEMBL785547

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.59
ENPP2 Q13822 1/20 0.45
HSP90AB1 P08238 2/20 0.42
MAPT P10636 1/20 0.41
HSP90B1 P14625 4/20 0.41
PDGFRB P09619 3/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2806625 0.87 HSP90AA1 (0.48) HSP90AA1ENPP2HSP90AB1HSP90B1HPGD
SCHEMBL803600 0.82 MAPT (0.63) HSP90AA1ENPP2MAPTPDGFRB
SCHEMBL28884637 0.81 MAPT (0.51) HSP90AA1ENPP2HSP90AB1MAPTHSP90B1
SCHEMBL5776309 0.80 HSP90AA1 (0.44) HSP90AA1ENPP2HSP90AB1MAPTHSP90B1
SCHEMBL23501691 0.78 HSP90AB1 (0.59) HSP90AB1PDGFRB
SCHEMBL31340129 0.78 HSP90AA1 (0.47) HSP90AA1ENPP2HSP90AB1MAPTHSP90B1
SCHEMBL28518471 0.78 HSP90AA1 (0.47) HSP90AA1ENPP2HSP90AB1MAPTHSP90B1
SCHEMBL786050 0.78 KDR (0.45) HSP90AA1ENPP2HSP90AB1MAPTHSP90B1
SCHEMBL21326642 0.78 HSP90AA1 (0.59) HSP90AA1HSP90AB1MAPTHSP90B1PDGFRB
SCHEMBL785054 0.77 MAPT (0.43) HSP90AA1ENPP2HSP90AB1MAPTHSP90B1

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
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO 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 HSP90AA1 2767/4885ENPP2 1718/4885HSP90AB1 2082/4885

“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.