SCHEMBL784473

SCHEMBL784473

CCCC(=O)NC1CCc2ccc(C(=O)N(C)C3CCN(c4cc(C)nc(C)c4)CC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.42
HTR1A P08908 4/20 0.42
HTR2A P28223 4/20 0.42
KCNH2 Q12809 4/20 0.42
F10 P00742 2/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
NPY5R Q15761 2/20 0.39
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
WDR5 P61964 3/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CTSS P25774 1/20 0.35

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
SCHEMBL784376 0.90 F10 (0.39) DRD2HTR1AHTR2AKCNH2F10
SCHEMBL784022 0.89 TLR9 (0.42) DRD2HTR1AHTR2AKCNH2F10
SCHEMBL785386 0.89 KCNQ2 (0.39) DRD2F10TLR9TLR8TLR7
SCHEMBL783606 0.89 TLR9 (0.42) DRD2F10TLR9TLR8TLR7
SCHEMBL784170 0.89 HCRTR1 (0.40) F10TLR9TLR8TLR7JAK2
SCHEMBL785264 0.87 TLR9 (0.41) DRD2HTR1AHTR2AKCNH2F10
SCHEMBL784928 0.87 TLR9 (0.43) DRD2F10TLR9TLR8TLR7
SCHEMBL785873 0.86 DRD2 (0.39) DRD2HTR1AHTR2AKCNH2F10
SCHEMBL28802472 0.86 F10 (0.42) DRD2HTR1AHTR2AKCNH2F10
SCHEMBL784016 0.85 F10 (0.43) DRD2F10TLR9TLR8TLR7

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 DRD2 64/4885HTR1A 94/4885HTR2A 475/4885

“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.