SCHEMBL2833634

SCHEMBL2833634

COc1cc(C)c(S(=O)(=O)N2c3ccccc3C[C@H]2COc2ccnc(CNCCCN3CCC(c4ccccc4)(N(C)C)CC3)n2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
HTR7 P34969 3/20 0.31
HTR6 P50406 1/20 0.31
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL2839328 0.96 OPRM1 (0.34) OPRM1OPRL1
SCHEMBL2832802 0.90 OPRM1 (0.31) OPRM1OPRL1HTR7HTR1AHTR2A
SCHEMBL2833635 0.88 TSHR (0.32) OPRM1OPRL1HTR7HTR6HTR1A
SCHEMBL2832094 0.87 OPRM1 (0.37) OPRM1OPRL1HTR7
SCHEMBL2834641 0.87 NPY1R (0.31)
SCHEMBL2832187 0.87 AVPR1A (0.30)
SCHEMBL2832179 0.86 NPY5R (0.32) OPRM1OPRL1
SCHEMBL2839676 0.86 OPRM1 (0.36) OPRM1OPRL1HTR7
SCHEMBL2839331 0.86 TSHR (0.33) OPRM1OPRL1
SCHEMBL2833632 0.85

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
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 OPRM1 1056/4885OPRL1 522/4885HTR7 643/4885

“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.