SCHEMBL784656

SCHEMBL784656

CN(C(=O)c1ccc2c(c1)C(NC(=O)C1CC1)CC2)C1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.40
CTSS P25774 1/20 0.37
PRMT3 O60678 1/20 0.36
F10 P00742 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
NAMPT P43490 1/20 0.35
NPY5R Q15761 1/20 0.35
WDR5 P61964 3/20 0.35
GSK3B P49841 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
KDM2B Q8NHM5 1/20 0.35

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
SCHEMBL785020 0.96 POLB (0.38) ABL1CTSSPRMT3NAMPTWDR5
SCHEMBL785875 0.89 MCHR1 (0.39) CTSSF10HTR1ADRD2HTR2A
SCHEMBL785215 0.89 CTSS (0.41) CTSSPRMT3F10HTR1ADRD2
SCHEMBL785873 0.88 DRD2 (0.39) CTSSPRMT3F10HTR1ADRD2
SCHEMBL785442 0.88 PRMT3 (0.36) CTSSPRMT3F10NPY5RWDR5
SCHEMBL785344 0.88 PSMB11 (0.36) CTSSPRMT3F10DRD2NPY5R
SCHEMBL803496 0.88 GPR119 (0.37) CTSSPRMT3F10NPY5RWDR5
SCHEMBL785229 0.88 HCRTR1 (0.36) CTSSPRMT3F10WDR5SMYD3
SCHEMBL784402 0.87 CTSS (0.40) CTSSF10WDR5
SCHEMBL785076 0.87 F10 (0.39) PRMT3F10NPY5R

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 ABL1 1362/4885CTSS 824/4885PRMT3 2202/4885

“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.