SCHEMBL2836614

SCHEMBL2836614

COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2COc2ccnc(N3CCC4(CC3)C(=O)NCN4c3ccccc3)n2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.42
SLC6A5 Q9Y345 5/20 0.42
OPRM1 P35372 6/20 0.40
OPRL1 P41146 6/20 0.40
HTR1A P08908 2/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL2831948 0.88 SLC6A9 (0.42) SLC6A9SLC6A5OPRM1OPRL1HTR1A
SCHEMBL2832740 0.86 SLC6A9 (0.44) SLC6A9SLC6A5OPRM1OPRL1HTR1A
SCHEMBL2835829 0.83 CASP3 (0.36) OPRL1
SCHEMBL2832996 0.83 KMT2A (0.40)
SCHEMBL2835269 0.81 CASP3 (0.37) OPRM1OPRL1OPRD1OPRK1
SCHEMBL2832782 0.81 CA12 (0.39)
SCHEMBL2836786 0.81 KMT2A (0.39)
SCHEMBL2870105 0.80 CYP2D6 (0.39)
SCHEMBL2832792 0.79 PDE10A (0.36) OPRM1OPRL1OPRD1OPRK1
SCHEMBL2835304 0.79 CASP3 (0.39)

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 SLC6A9 2859/4885SLC6A5 3985/4885OPRM1 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.