SCHEMBL785591

SCHEMBL785591

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
ACHE P22303 5/20 0.43
POLB P06746 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
DRD2 P14416 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PDK2 Q15119 2/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL785118 0.87 MCHR1 (0.44) F10ACHEPOLBJAK2JAK1
SCHEMBL785119 0.87 MCHR1 (0.44) F10ACHEPOLBJAK2JAK1
SCHEMBL784539 0.86 TLR9 (0.43) F10TLR9TLR8TLR7POLB
SCHEMBL784928 0.86 TLR9 (0.43) F10TLR9TLR8TLR7ACHE
SCHEMBL784022 0.85 TLR9 (0.42) F10TLR9TLR8TLR7POLB
SCHEMBL784885 0.85 TLR9 (0.42) F10TLR9TLR8TLR7POLB
SCHEMBL784895 0.84 F10 (0.43) F10TLR9TLR8TLR7POLB
SCHEMBL785813 0.83 TLR9 (0.41) F10TLR9TLR8TLR7POLB
SCHEMBL785264 0.83 TLR9 (0.41) F10TLR9TLR8TLR7POLB
SCHEMBL28802471 0.83 F10 (0.41) F10TLR9TLR8TLR7POLB

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 disclosed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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 F10 524/4885TLR9 1200/4885TLR8 1055/4885

“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.