SCHEMBL784170

SCHEMBL784170

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.40
HCRTR2 O43614 12/20 0.40
F10 P00742 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
WDR5 P61964 4/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36

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
SCHEMBL784473 0.89 DRD2 (0.42) F10TLR9TLR8TLR7WDR5
SCHEMBL785608 0.89 MCHR1 (0.39) HCRTR1HCRTR2F10
SCHEMBL784022 0.89 TLR9 (0.42) F10TLR9TLR8TLR7WDR5
SCHEMBL785231 0.89 F10 (0.38) F10TLR9TLR8TLR7JAK2
SCHEMBL785386 0.88 KCNQ2 (0.39) HCRTR1HCRTR2F10TLR9TLR8
SCHEMBL783606 0.88 TLR9 (0.42) HCRTR1HCRTR2F10TLR9TLR8
SCHEMBL785264 0.86 TLR9 (0.41) F10TLR9TLR8TLR7WDR5
SCHEMBL784376 0.86 F10 (0.39) F10TLR9TLR8TLR7WDR5
SCHEMBL784928 0.86 TLR9 (0.43) F10TLR9TLR8TLR7JAK2
SCHEMBL785229 0.86 HCRTR1 (0.36) HCRTR1HCRTR2F10WDR5JAK2

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 HCRTR1 214/4885HCRTR2 500/4885F10 524/4885

“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.