SCHEMBL784791

SCHEMBL784791

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.41
F10 P00742 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
SPR P35270 1/20 0.36
CRHR1 P34998 4/20 0.35
TACR2 P21452 1/20 0.35
TACR1 P25103 1/20 0.35
MCHR1 Q99705 4/20 0.35
KCNH2 Q12809 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
SCHEMBL784364 0.91 F10 (0.39) F10TLR9TLR8TLR7SPR
SCHEMBL784593 0.91 F10 (0.45) PDK2F10TLR9TLR8TLR7
SCHEMBL784621 0.88 UBE2M (0.37) PDK2F10TLR9TLR8TLR7
SCHEMBL785542 0.88 HPGD (0.44) F10TLR9TLR8TLR7SPR
SCHEMBL785276 0.85 F10 (0.39) F10TLR9TLR8TLR7SPR
SCHEMBL785587 0.84 RORC (0.43) PDK2F10TLR9TLR8TLR7
SCHEMBL785840 0.83 SPR (0.39) PDK2F10TLR9TLR8TLR7
SCHEMBL784425 0.83 F10 (0.40) F10TLR9TLR8TLR7SPR
SCHEMBL784539 0.83 TLR9 (0.43) PDK2F10TLR9TLR8TLR7
SCHEMBL785799 0.81 TAF1 (0.42) TLR9TLR8TLR7SPRMCHR1

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 PDK2 2401/4885F10 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.