SCHEMBL785476

SCHEMBL785476

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)CCC3CCCC3)CC4)CC2)nc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 3/20 0.41
CECR2 Q9BXF3 3/20 0.41
BRD9 Q9H8M2 3/20 0.41
GBA1 P04062 1/20 0.36
ALDH1A1 P00352 2/20 0.35
WDR5 P61964 6/20 0.35
TSHR P16473 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
ACHE P22303 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
SCHEMBL785221 0.93 ALDH1A1 (0.43) TAF1CECR2BRD9GBA1ALDH1A1
SCHEMBL785297 0.92 TAF1 (0.42) TAF1CECR2BRD9ALDH1A1WDR5
SCHEMBL784376 0.90 F10 (0.39) ALDH1A1WDR5TLR9TLR8TLR7
SCHEMBL27920403 0.89 CA12 (0.41) TAF1CECR2BRD9WDR5TLR9
SCHEMBL785285 0.87 TAF1 (0.41) TAF1CECR2BRD9ALDH1A1WDR5
SCHEMBL784135 0.87 TSHR (0.44) TAF1CECR2BRD9ALDH1A1WDR5
SCHEMBL784259 0.86 POLB (0.37) GBA1ALDH1A1WDR5TSHRPOLB
SCHEMBL785567 0.85 TAF1 (0.40) TAF1CECR2BRD9ALDH1A1WDR5
SCHEMBL785126 0.85 POLB (0.37) GBA1WDR5TSHRPOLBKMT2A
SCHEMBL784808 0.85 F10 (0.41) WDR5TSHRPOLBKMT2AHTR1A

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.