SCHEMBL2831981

SCHEMBL2831981

COc1cc(C)c(S(=O)(=O)N2CCCCC2COc2ccnc(N3CCC(c4cccc(F)c4)(N4CCN(C)CC4)CC3)n2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.34
SLC6A3 Q01959 4/20 0.34
SLC6A4 P31645 3/20 0.34
CASP3 P42574 9/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CASP7 P55210 4/20 0.31
KCNQ1 P51787 1/20 0.31

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
SCHEMBL2835767 0.89 CASP3 (0.32) CASP3CASP7KCNQ1
SCHEMBL2835496 0.88 SLC6A2 (0.33) SLC6A2SLC6A3SLC6A4CASP3CASP7
SCHEMBL2836548 0.85 CA12 (0.38) CASP3CASP7
SCHEMBL2833663 0.85 HTR7 (0.33) SLC6A2SLC6A3SLC6A4CASP3CASP7
SCHEMBL2832782 0.83 CA12 (0.39) CASP3CASP7
SCHEMBL2836786 0.82 KMT2A (0.39) CASP3CASP7
SCHEMBL3408124 0.81 BDKRB1 (0.41)
SCHEMBL2833842 0.80 CASP3 (0.34) CASP3CASP7
SCHEMBL3410519 0.80 BDKRB1 (0.38) CASP3CASP7KCNQ1
SCHEMBL2839171 0.80 LMNA (0.41) CASP3CASP7

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 4 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-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 SLC6A2 2863/4885SLC6A3 2272/4885SLC6A4 2062/4885

“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.