SCHEMBL784593

SCHEMBL784593

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N(C)C(=O)c3cc(Cl)ccc3Cl)CC4)CC2)cc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.45
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
F2 P00734 1/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38
SPR P35270 2/20 0.38
PDK2 Q15119 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
MRGPRX2 Q96LB1 1/20 0.34
CNR1 P21554 3/20 0.34
CNR2 P34972 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL784364 0.93 F10 (0.39) F10TLR9TLR8TLR7F2
SCHEMBL785542 0.91 HPGD (0.44) F10TLR9TLR8TLR7SPR
SCHEMBL784791 0.91 PDK2 (0.41) F10TLR9TLR8TLR7SPR
SCHEMBL784877 0.89 F10 (0.45) F10F2PLATKLKB1PDK2
SCHEMBL785276 0.88 F10 (0.39) F10TLR9TLR8TLR7F2
SCHEMBL784619 0.87 F10 (0.43) F10TLR9TLR8TLR7F2
SCHEMBL785586 0.86 F10 (0.43) F10TLR9TLR8TLR7F2
SCHEMBL784935 0.86 F10 (0.43) F10TLR9TLR8TLR7F2
SCHEMBL785474 0.86 NPC1 (0.46) F10TLR9TLR8TLR7F2
SCHEMBL784425 0.85 F10 (0.40) F10TLR9TLR8TLR7F2

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.