SCHEMBL2836552

SCHEMBL2836552

COc1cc(C)c(S(=O)(=O)N2CCCCC2COc2ccnc(N3CCC(CCN4CCCCC4)CC3)n2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR1A P08908 6/20 0.35
DRD2 P14416 6/20 0.35
HTR2A P28223 5/20 0.35
HTR6 P50406 5/20 0.35
HTR1D P28221 2/20 0.33
HTR2B P41595 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
DRD3 P35462 1/20 0.33
CHRM4 P08173 1/20 0.33
CASP3 P42574 2/20 0.33
CASP7 P55210 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 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
SCHEMBL2839870 0.99 HTR7 (0.38) HTR7TMEM97SIGMAR1HTR1ADRD2
SCHEMBL2834109 0.98 HTR7 (0.40) HTR7TMEM97SIGMAR1HTR1ADRD2
SCHEMBL2835296 0.98 HTR7 (0.40) HTR7TMEM97SIGMAR1HTR1ADRD2
SCHEMBL2836548 0.89 CA12 (0.38) HTR7TMEM97SIGMAR1ALDH1A1KDM4E
SCHEMBL2836786 0.88 KMT2A (0.39) ALDH1A1KDM4ECASP3CASP7
SCHEMBL2837335 0.87 BDKRB1 (0.41) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL2832782 0.86 CA12 (0.39) HTR7TMEM97SIGMAR1ALDH1A1CASP3
SCHEMBL2832543 0.86 HTR7 (0.40) HTR7TMEM97SIGMAR1HTR1ADRD2
SCHEMBL2832996 0.85 KMT2A (0.40) HTR7TMEM97SIGMAR1ALDH1A1KDM4E
SCHEMBL2832546 0.85 HTR7 (0.40) HTR7TMEM97SIGMAR1HTR1ADRD2

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
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

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 HTR7 643/4885TMEM97 3649/4885SIGMAR1 1220/4885

“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.