SCHEMBL785386

SCHEMBL785386

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 6/20 0.39
F10 P00742 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
DRD2 P14416 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
WDR5 P61964 5/20 0.36
PDK2 Q15119 1/20 0.34
CTSS P25774 1/20 0.34
CNR2 P34972 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL784473 0.89 DRD2 (0.42) F10TLR9TLR8TLR7DRD2
SCHEMBL785458 0.89 MCHR1 (0.39) KCNQ2F10DRD2JAK2JAK1
SCHEMBL784022 0.89 TLR9 (0.42) F10TLR9TLR8TLR7DRD2
SCHEMBL784170 0.88 HCRTR1 (0.40) F10TLR9TLR8TLR7JAK2
SCHEMBL783606 0.88 TLR9 (0.42) F10TLR9TLR8TLR7DRD2
SCHEMBL784376 0.88 F10 (0.39) F10TLR9TLR8TLR7DRD2
SCHEMBL803662 0.87 TLR9 (0.39) F10TLR9TLR8TLR7JAK2
SCHEMBL785264 0.86 TLR9 (0.41) F10TLR9TLR8TLR7DRD2
SCHEMBL784928 0.86 TLR9 (0.43) F10TLR9TLR8TLR7DRD2
SCHEMBL785344 0.86 PSMB11 (0.36) F10DRD2JAK2JAK1WDR5

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 3 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-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 KCNQ2 203/4885F10 524/4885TLR9 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.