SCHEMBL784886

SCHEMBL784886

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NCC(=O)C3CC3)CC4)CC2)cc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.41
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
ACHE P22303 8/20 0.38
JAK2 O60674 5/20 0.36
JAK1 P23458 5/20 0.36
DRD2 P14416 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
BCHE P06276 1/20 0.34
F2 P00734 1/20 0.34
PLAT P00750 1/20 0.34
KLKB1 P03952 1/20 0.34
POLB P06746 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
SCHEMBL785282 0.96 ACHE (0.41) F10TLR9TLR8TLR7ACHE
SCHEMBL785829 0.89 F10 (0.41) F10ACHEJAK2JAK1DRD2
SCHEMBL785231 0.88 F10 (0.38) F10TLR9TLR8TLR7ACHE
SCHEMBL785264 0.87 TLR9 (0.41) F10TLR9TLR8TLR7DRD2
SCHEMBL784928 0.87 TLR9 (0.43) F10TLR9TLR8TLR7ACHE
SCHEMBL784202 0.86 TAF1 (0.41) TLR9TLR8TLR7ACHEJAK2
SCHEMBL784022 0.86 TLR9 (0.42) F10TLR9TLR8TLR7JAK2
SCHEMBL785636 0.85 ACHE (0.42) F10ACHEJAK2JAK1DRD2
SCHEMBL784016 0.84 F10 (0.43) F10TLR9TLR8TLR7JAK2
SCHEMBL784473 0.83 DRD2 (0.42) F10TLR9TLR8TLR7JAK2

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 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.