SCHEMBL2833758

SCHEMBL2833758

COc1cc(C)c(S(=O)(=O)N2CC(Oc3nccc(N4CCC(CCN5CCCCC5)CC4)n3)C2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.36
ACACB O00763 3/20 0.35
IGF1R P08069 2/20 0.34
ALK Q9UM73 2/20 0.34
FPR2 P25090 2/20 0.34
PROKR1 Q8TCW9 2/20 0.34
ENPP1 P22413 1/20 0.34
BDKRB1 P46663 2/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MAPK14 Q16539 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
SCHEMBL2839410 0.95 ACACB (0.37) HTR1AHTR7ACACBIGF1RALK
SCHEMBL2835037 0.85 CHRM4 (0.36) HTR1AFPR2PROKR1ENPP1DRD2
SCHEMBL2830999 0.85 BDKRB1 (0.45) HTR1AHTR7ACACBFPR2PROKR1
SCHEMBL2832543 0.83 HTR7 (0.40) HTR1AHTR7ENPP1DRD2DRD3
SCHEMBL2835634 0.83 BDKRB1 (0.47) HTR1ABDKRB1
SCHEMBL2832050 0.83 HTR7 (0.41) HTR1AHTR7DRD2DRD3
SCHEMBL2360400 0.82 BDKRB1 (0.44) HTR1AHTR7BDKRB1
SCHEMBL2832546 0.82 HTR7 (0.40) HTR1AHTR7ENPP1DRD2DRD3
SCHEMBL2836723 0.82 HTR7 (0.42) HTR1AHTR7DRD2DRD3
SCHEMBL2836781 0.82 BDKRB1 (0.48) HTR1ABDKRB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356101-B1 PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2013-02-27 EP claimed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US claimed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 US claimed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 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-20100173889-A1 Substituted Pyrimidine and Triazine Compounds ADORA2B, CCNB1, TYMS HTR1A 199/4885HTR7 643/4885ACACB 3812/4885

“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.