SCHEMBL2839259

SCHEMBL2839259

COc1cc(C)c(S(=O)(=O)N(C)C(COc2nccc(N(C)CCN3CCC(O)(c4cccnc4)CC3)n2)c2ccccc2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ALDH1A1 P00352 5/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CCR1 P32246 1/20 0.34
TACR2 P21452 2/20 0.33
TACR1 P25103 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
BDKRB1 P46663 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KEAP1 Q14145 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
SCHEMBL2833846 0.81 LMNA (0.39) LMNAALDH1A1DRD2DRD3SMN1; SMN2
SCHEMBL2837100 0.79 OPRD1 (0.35) LMNAALDH1A1OPRM1OPRD1OPRK1
SCHEMBL2836121 0.78 DRD2 (0.30) DRD2DRD3
SCHEMBL2836217 0.78 DRD2 (0.33) DRD2DRD3
SCHEMBL2833817 0.76 BDKRB1 (0.43) BDKRB1
SCHEMBL2835478 0.74 ALDH1A1 (0.46) ALDH1A1KMT2ADRD2DRD3SMN1; SMN2
SCHEMBL2833766 0.73 BDKRB1 (0.41) BDKRB1
SCHEMBL2833973 0.73 LMNA (0.45) LMNAALDH1A1BDKRB1SMN1; SMN2
SCHEMBL2833526 0.73 CRHR1 (0.33) TACR1SMN1; SMN2KEAP1
SCHEMBL2830448 0.72 BDKRB1 (0.45) OPRM1OPRL1BDKRB1

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 LMNA 3222/4885ALDH1A1 2375/4885OPRM1 1056/4885

“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.