SCHEMBL785822

SCHEMBL785822

CN(C(=O)c1ccc2c(c1)C(NC(=O)CCC1CCCC1)CC2)C1CCN(c2ccnnc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
CTSS P25774 1/20 0.34
DRD2 P14416 3/20 0.33
ACHE P22303 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
WDR5 P61964 2/20 0.33
TAOK3 Q9H2K8 2/20 0.33
MCHR1 Q99705 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 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

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 0.91 ALDH1A1 (0.38) POLBCTSSDRD2ACHEHTR1A
SCHEMBL784808 0.89 F10 (0.41) POLBCTSSDRD2ACHEHTR1A
SCHEMBL784376 0.88 F10 (0.39) POLBCTSSDRD2ACHEHTR1A
SCHEMBL785778 0.88 TAOK3 (0.40) POLBCTSSDRD2HTR1ATAOK3
SCHEMBL785905 0.87 POLB (0.37) POLBCTSSDRD2ACHEHTR1A
SCHEMBL784513 0.87 PRMT3 (0.38) POLBCTSSACHEWDR5ALDH1A1
SCHEMBL784558 0.85 ALDH1A1 (0.38) POLBDRD2TAOK3MCHR1TAOK1
SCHEMBL784259 0.83 POLB (0.37) POLBDRD2ACHEHTR1AHTR2A
SCHEMBL785126 0.83 POLB (0.37) POLBHTR1AWDR5KMT2AMEN1
SCHEMBL785476 0.82 TAF1 (0.41) POLBDRD2ACHEHTR1AHTR2A

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 POLB 3355/4885CTSS 824/4885DRD2 64/4885

“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.