SCHEMBL785486

SCHEMBL785486

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](N(C)C(=O)c3ccccc3C)CC4)CC2)nc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 3/20 0.44
CECR2 Q9BXF3 3/20 0.44
BRD9 Q9H8M2 3/20 0.44
SPR P35270 2/20 0.41
GBA1 P04062 8/20 0.41
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ITK Q08881 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 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
SCHEMBL785207 0.92 TAF1 (0.43) TAF1CECR2BRD9SPRGBA1
SCHEMBL784120 0.91 TAF1 (0.40) TAF1CECR2BRD9SPRGBA1
SCHEMBL785560 0.91 TAF1 (0.41) TAF1CECR2BRD9SPRGBA1
SCHEMBL784535 0.88 TAF1 (0.41) TAF1CECR2BRD9SPRGBA1
SCHEMBL784144 0.87 TAF1 (0.40) TAF1CECR2BRD9SPRTLR9
SCHEMBL784251 0.86 TAF1 (0.41) TAF1CECR2BRD9SPRGBA1
SCHEMBL785799 0.86 TAF1 (0.42) TAF1CECR2BRD9SPRTLR9
SCHEMBL785525 0.86 TAF1 (0.42) TAF1CECR2BRD9SPRTLR9
SCHEMBL784201 0.85 TAF1 (0.41) TAF1CECR2BRD9SPRGBA1
SCHEMBL785607 0.84 TAF1 (0.39) TAF1CECR2BRD9SPRGBA1

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 10 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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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.