SCHEMBL784801

SCHEMBL784801

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
WDR5 P61964 5/20 0.34
HTR1A P08908 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
SMN1; SMN2 Q16637 1/20 0.33
HRH4 Q9H3N8 3/20 0.33
HRH3 Q9Y5N1 3/20 0.33
PSMB11 A5LHX3 1/20 0.33
PSMA7 O14818 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMA1 P25786 1/20 0.33
PSMA2 P25787 1/20 0.33
PSMA3 P25788 1/20 0.33
PSMA4 P25789 1/20 0.33
PSMB8 P28062 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
SCHEMBL784259 0.91 POLB (0.37) POLBWDR5HTR1AMEN1NPC1
SCHEMBL785126 0.91 POLB (0.37) POLBWDR5HTR1AMEN1NPC1
SCHEMBL784264 0.90 POLB (0.36) POLBWDR5HTR1AMEN1NPC1
SCHEMBL784401 0.89 POLB (0.37) POLBWDR5HTR1AMEN1NPC1
SCHEMBL27920413 0.88 POLB (0.37) POLBWDR5HTR1AMEN1NPC1
SCHEMBL784808 0.84 F10 (0.41) POLBWDR5HTR1AMEN1NPC1
SCHEMBL785476 0.84 TAF1 (0.41) POLBWDR5HTR1ATSHRKMT2A
SCHEMBL784595 0.84 ALDH1A1 (0.38) POLBHTR1AKMT2ADRD2HTR2A
SCHEMBL784376 0.83 F10 (0.39) POLBWDR5HTR1AMEN1KMT2A
SCHEMBL785221 0.83 ALDH1A1 (0.43) POLBWDR5TP53TSHRKMT2A

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 POLB 3355/4885WDR5 2611/4885HTR1A 94/4885

“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.