SCHEMBL784401

SCHEMBL784401

CN(C(=O)c1ccc2c(c1)C(NC(=O)CCC1CCCC1)CC2)C1CCN(c2ccnc(S(C)(=O)=O)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
CNR2 P34972 2/20 0.34
WDR5 P61964 3/20 0.33
GBA1 P04062 1/20 0.33
HTR1A P08908 2/20 0.33
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
HSD11B1 P28845 1/20 0.32
HSD11B2 P80365 1/20 0.32
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL784259 0.90 POLB (0.37) POLBWDR5GBA1HTR1AACHE
SCHEMBL785126 0.89 POLB (0.37) POLBWDR5GBA1HTR1ASMN1; SMN2
SCHEMBL784801 0.89 POLB (0.36) POLBCNR2WDR5GBA1HTR1A
SCHEMBL784264 0.89 POLB (0.36) POLBCNR2WDR5GBA1HTR1A
SCHEMBL27920413 0.87 POLB (0.37) POLBCNR2WDR5GBA1HTR1A
SCHEMBL784808 0.83 F10 (0.41) POLBCNR2WDR5HTR1AACHE
SCHEMBL785476 0.83 TAF1 (0.41) POLBWDR5GBA1HTR1AACHE
SCHEMBL784595 0.83 ALDH1A1 (0.38) POLBHTR1AACHEKMT2AALDH1A1
SCHEMBL784376 0.82 F10 (0.39) POLBCNR2WDR5HTR1AACHE
SCHEMBL785221 0.82 ALDH1A1 (0.43) POLBWDR5GBA1TP53TSHR

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 6 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
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

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 POLB 3355/4885CNR2 38/4885WDR5 2611/4885

“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.