SCHEMBL785282

SCHEMBL785282

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NCC(=O)C3CCCCC3)CC4)CC2)cc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.41
F10 P00742 2/20 0.39
POLB P06746 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
CNR2 P34972 1/20 0.36
PTAFR P25105 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 1/20 0.34
DRD2 P14416 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL784886 0.96 F10 (0.41) ACHEF10POLBTLR9TLR8
SCHEMBL785636 0.89 ACHE (0.42) ACHEF10POLBCNR2PDE3B
SCHEMBL784202 0.89 TAF1 (0.41) ACHEPOLBTLR9TLR8TLR7
SCHEMBL785459 0.88 TSHR (0.41) ACHEF10POLBTLR9TLR8
SCHEMBL785231 0.85 F10 (0.38) ACHEF10TLR9TLR8TLR7
SCHEMBL785829 0.85 F10 (0.41) ACHEF10POLBJAK2JAK1
SCHEMBL784928 0.84 TLR9 (0.43) ACHEF10POLBTLR9TLR8
SCHEMBL784022 0.84 TLR9 (0.42) F10POLBTLR9TLR8TLR7
SCHEMBL785264 0.83 TLR9 (0.41) F10POLBTLR9TLR8TLR7
SCHEMBL785281 0.82 POLB (0.41) F10POLBTLR9TLR8TLR7

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 ACHE 746/4885F10 524/4885POLB 3355/4885

“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.