SCHEMBL785852

SCHEMBL785852

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)c3cncnc3)CC4)CC2)cc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
WDR5 P61964 13/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
F10 P00742 1/20 0.37
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
SPR P35270 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
SCHEMBL784342 0.90 CTSS (0.41) CTSSWDR5F10HTR1ADRD2
SCHEMBL784472 0.90 CTSS (0.41) CTSSWDR5F10HTR1ADRD2
SCHEMBL784022 0.89 TLR9 (0.42) CTSSWDR5TLR9TLR8TLR7
SCHEMBL785215 0.87 CTSS (0.41) CTSSWDR5F10HTR1ADRD2
SCHEMBL785204 0.87 TAS1R3 (0.43) CTSSWDR5TLR9TLR8TLR7
SCHEMBL785264 0.86 TLR9 (0.41) CTSSWDR5TLR9TLR8TLR7
SCHEMBL785813 0.86 TLR9 (0.41) TLR9TLR8TLR7F10DRD2
SCHEMBL784928 0.86 TLR9 (0.43) TLR9TLR8TLR7F10DRD2
SCHEMBL785199 0.85 CTSS (0.47) CTSSWDR5
SCHEMBL785605 0.85 ALDH1A1 (0.43) CTSSWDR5TLR9TLR8TLR7

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 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-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 CTSS 824/4885WDR5 2611/4885TLR9 1200/4885

“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.