SCHEMBL784201

SCHEMBL784201

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](N(C)C(=O)C3CCCC3)CC4)CC2)nc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 3/20 0.41
CECR2 Q9BXF3 3/20 0.41
BRD9 Q9H8M2 3/20 0.41
POLB P06746 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
GBA1 P04062 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HCRTR2 O43614 1/20 0.35
USP30 Q70CQ3 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTAFR P25105 1/20 0.34
SPR P35270 1/20 0.34
DRD2 P14416 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL785123 0.91 TAF1 (0.41) TAF1CECR2BRD9POLBTLR9
SCHEMBL785281 0.88 POLB (0.41) POLBTLR9TLR8TLR7CNR2
SCHEMBL785170 0.88 TAF1 (0.43) TAF1CECR2BRD9POLBTLR9
SCHEMBL785207 0.85 TAF1 (0.43) TAF1CECR2BRD9TLR9TLR8
SCHEMBL784885 0.85 TLR9 (0.42) POLBTLR9TLR8TLR7CNR2
SCHEMBL784135 0.85 TSHR (0.44) TAF1CECR2BRD9POLBTLR9
SCHEMBL785486 0.85 TAF1 (0.44) TAF1CECR2BRD9TLR9TLR8
SCHEMBL785700 0.84 TAF1 (0.39) TAF1CECR2BRD9POLBTLR9
SCHEMBL784910 0.84 TAF1 (0.41) TAF1CECR2BRD9POLBTLR9
SCHEMBL27920398 0.84 TAF1 (0.41) TAF1CECR2BRD9POLBTLR9

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 TAF1 2144/4885CECR2 888/4885BRD9 243/4885

“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.