SCHEMBL2840074

SCHEMBL2840074

COc1cc(C)c(S(=O)(=O)N2CCCC(Oc3ccnc(N4CCC(c5ccccc5)(N(C)C)CC4)n3)C2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
OPRL1 P41146 3/20 0.34
NAAA Q02083 1/20 0.34
OPRM1 P35372 3/20 0.33
HCRTR1 O43613 6/20 0.33
HCRTR2 O43614 6/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
TSPO P30536 1/20 0.32
SCN9A Q15858 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
SCHEMBL2834663 0.86 OPRM1 (0.33) LMNAOPRL1NAAAOPRM1SCN9A
SCHEMBL2837029 0.85 OPRM1 (0.33) LMNAOPRL1NAAAOPRM1SCN9A
SCHEMBL2834659 0.84 OPRM1 (0.32) LMNAOPRL1NAAAOPRM1
SCHEMBL2834661 0.84 OPRM1 (0.37) LMNAOPRL1OPRM1
SCHEMBL2837025 0.83 OPRM1 (0.32) LMNAOPRL1OPRM1
SCHEMBL2837027 0.83 OPRM1 (0.36) LMNAOPRL1OPRM1
SCHEMBL2835829 0.82 CASP3 (0.36) OPRL1
SCHEMBL2836061 0.79 ALDH1A1 (0.35) LMNANAAAHCRTR1HCRTR2ALDH1A1
SCHEMBL2834917 0.79 LMNA (0.41) LMNANAAAALDH1A1MAPK1SMN1; SMN2
SCHEMBL2834822 0.79 OPRM1 (0.32) OPRL1NAAAOPRM1

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 3222/4885OPRL1 522/4885NAAA 1814/4885

“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.