SCHEMBL785232

SCHEMBL785232

COCC(=O)N(C)C1CCc2ccc(C(=O)N(C)C3CCN(c4cc(C)nc(C)c4)CC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
IMPDH2 P12268 1/20 0.37
POLB P06746 1/20 0.36
TMEM97 Q5BJF2 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
MCHR1 Q99705 2/20 0.35
DRD2 P14416 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
F2 P00734 1/20 0.34
PLAT P00750 1/20 0.34
KLKB1 P03952 1/20 0.34
SPR P35270 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
SCHEMBL785359 0.89 F10 (0.41) F10IMPDH2POLBTMEM97SIGMAR1
SCHEMBL784991 0.89 F10 (0.46) F10TLR9TLR8TLR7POLB
SCHEMBL784421 0.88 F10 (0.41) F10TLR9TLR8TLR7POLB
SCHEMBL785283 0.88 TLR9 (0.43) F10TLR9TLR8TLR7POLB
SCHEMBL784539 0.87 TLR9 (0.43) F10TLR9TLR8TLR7POLB
SCHEMBL784885 0.86 TLR9 (0.42) F10TLR9TLR8TLR7POLB
SCHEMBL785205 0.86 F10 (0.43) F10TLR9TLR8TLR7POLB
SCHEMBL784170 0.85 HCRTR1 (0.40) F10TLR9TLR8TLR7JAK2
SCHEMBL803923 0.84 TLR9 (0.40) F10TLR9TLR8TLR7TMEM97
SCHEMBL785813 0.84 TLR9 (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 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.