SCHEMBL784828

SCHEMBL784828

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)c3ccccc3Cl)CC4)CC2)nc(C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.41
ALDH1A1 P00352 2/20 0.39
WDR5 P61964 3/20 0.39
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 0.38
TAS1R2 Q8TE23 2/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
SPR P35270 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM5A P29375 1/20 0.35
SPTLC2 O15270 1/20 0.35
KCNA5 P22460 1/20 0.35

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
SCHEMBL784161 0.91 ALDH1A1 (0.41) GBA1ALDH1A1WDR5TAS1R3TAS1R1
SCHEMBL785226 0.90 GBA1 (0.42) GBA1ALDH1A1WDR5TAS1R3TAS1R1
SCHEMBL785526 0.90 GBA1 (0.42) GBA1ALDH1A1WDR5TAS1R3TAS1R1
SCHEMBL785165 0.89 TAS1R3 (0.41) GBA1ALDH1A1WDR5TAS1R3TAS1R1
SCHEMBL785605 0.87 ALDH1A1 (0.43) ALDH1A1WDR5TAS1R3TAS1R1TAS1R2
SCHEMBL783985 0.87 ALDH1A1 (0.48) GBA1ALDH1A1WDR5TAS1R3TAS1R1
SCHEMBL785049 0.87 ALDH1A1 (0.41) ALDH1A1WDR5TAS1R3TAS1R1TAS1R2
SCHEMBL785088 0.86 ALDH1A1 (0.42) ALDH1A1WDR5TAS1R3TAS1R1TAS1R2
SCHEMBL784018 0.86 ALDH1A1 (0.47) GBA1ALDH1A1WDR5TAS1R3TAS1R1
SCHEMBL785004 0.86 GBA1 (0.41) GBA1TLR9TLR8TLR7SPR

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 8 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 claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
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-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
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 GBA1 849/4885ALDH1A1 1267/4885WDR5 2611/4885

“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.