SCHEMBL784513

SCHEMBL784513

CN(C(=O)c1ccc2c(c1)C(NC(=O)CCC1CCCC1)CC2)C1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 3/20 0.38
SMYD3 Q9H7B4 1/20 0.36
CTSS P25774 1/20 0.35
F10 P00742 3/20 0.35
POLB P06746 1/20 0.35
ITK Q08881 1/20 0.34
PSMB11 A5LHX3 1/20 0.34
PSMA7 O14818 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMA1 P25786 1/20 0.34
PSMA2 P25787 1/20 0.34
PSMA3 P25788 1/20 0.34
PSMA4 P25789 1/20 0.34
PSMB8 P28062 1/20 0.34
PSMB9 P28065 1/20 0.34
PSMA5 P28066 1/20 0.34
PSMB4 P28070 1/20 0.34
PSMB6 P28072 1/20 0.34
PSMB5 P28074 1/20 0.34
PSMB10 P40306 1/20 0.34

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
SCHEMBL785873 0.91 DRD2 (0.39) PRMT3SMYD3CTSSF10
SCHEMBL784595 0.90 ALDH1A1 (0.38) CTSSF10POLBALDH1A1ACHE
SCHEMBL785344 0.89 PSMB11 (0.36) PRMT3SMYD3CTSSF10PSMB11
SCHEMBL785442 0.87 PRMT3 (0.36) PRMT3SMYD3CTSSF10PSMB11
SCHEMBL785229 0.87 HCRTR1 (0.36) PRMT3SMYD3CTSSF10POLB
SCHEMBL785020 0.87 POLB (0.38) PRMT3CTSSPOLBALDH1A1WDR5
SCHEMBL785822 0.87 POLB (0.36) CTSSPOLBPSMB11PSMA7PSMB1
SCHEMBL785778 0.86 TAOK3 (0.40) CTSSF10POLBPSMB11PSMA7
SCHEMBL784376 0.86 F10 (0.39) CTSSF10POLBALDH1A1WDR5
SCHEMBL784808 0.86 F10 (0.41) CTSSF10POLBWDR5ACHE

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 PRMT3 2202/4885SMYD3 2447/4885CTSS 824/4885

“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.