SCHEMBL784703

SCHEMBL784703

CN(C(=O)c1ccc2c(c1)C(NC(=O)CCC1CCCC1)CC2)C1CCN(c2ncncc2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.35
DRD2 P14416 4/20 0.35
HTR2A P28223 4/20 0.35
KCNH2 Q12809 4/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
WDR5 P61964 4/20 0.33
FASN P49327 1/20 0.33
VNN1 O95497 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
MCHR1 Q99705 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL784595 0.84 ALDH1A1 (0.38) HTR1ADRD2HTR2AKCNH2POLB
SCHEMBL785822 0.82 POLB (0.36) HTR1ADRD2HTR2AKCNH2POLB
SCHEMBL784376 0.82 F10 (0.39) HTR1ADRD2HTR2AKCNH2POLB
SCHEMBL784808 0.81 F10 (0.41) HTR1ADRD2HTR2AKCNH2POLB
SCHEMBL785040 0.81 PAK1 (0.40) HTR1ADRD2HTR2AKCNH2KMT2A
SCHEMBL784513 0.81 PRMT3 (0.38) POLBKMT2AWDR5
SCHEMBL784259 0.81 POLB (0.37) HTR1ADRD2HTR2AKCNH2POLB
SCHEMBL785531 0.81 WDR5 (0.38) HTR1ADRD2HTR2AKCNH2GPR119
SCHEMBL785778 0.80 TAOK3 (0.40) HTR1ADRD2POLBKMT2A
SCHEMBL785905 0.80 POLB (0.37) HTR1ADRD2HTR2AKCNH2POLB

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 3 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-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 HTR1A 94/4885DRD2 64/4885HTR2A 475/4885

“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.