SCHEMBL2837029

SCHEMBL2837029

COc1cc(C)c(S(=O)(=O)N2CCCC(Oc3ccnc(N(C)CCCN4CCC(c5ccccc5)(N(C)C)CC4)n3)C2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.33
LMNA P02545 1/20 0.32
OPRL1 P41146 5/20 0.32
BDKRB1 P46663 3/20 0.31
AVPR1A P37288 2/20 0.31
SCN9A Q15858 1/20 0.31
HTR7 P34969 1/20 0.31
NAAA Q02083 1/20 0.31
POLB P06746 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
SCHEMBL2834663 0.96 OPRM1 (0.33) OPRM1LMNAOPRL1BDKRB1SCN9A
SCHEMBL2835310 0.94 BDKRB1 (0.33) OPRM1LMNAOPRL1BDKRB1AVPR1A
SCHEMBL2834822 0.90 OPRM1 (0.32) OPRM1OPRL1BDKRB1NAAA
SCHEMBL2837025 0.88 OPRM1 (0.32) OPRM1LMNAOPRL1AVPR1A
SCHEMBL2831143 0.88 LMNA (0.32) LMNABDKRB1SCN9ANAAAPOLB
SCHEMBL2837027 0.87 OPRM1 (0.36) OPRM1LMNAOPRL1
SCHEMBL2834659 0.86 OPRM1 (0.32) OPRM1LMNAOPRL1BDKRB1NAAA
SCHEMBL2834661 0.86 OPRM1 (0.37) OPRM1LMNAOPRL1POLB
SCHEMBL2840074 0.85 LMNA (0.35) OPRM1LMNAOPRL1SCN9ANAAA
SCHEMBL2832095 0.85 HTR7 (0.35) HTR7

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 1056/4885LMNA 3222/4885OPRL1 522/4885

“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.