SCHEMBL2835310

SCHEMBL2835310

COc1cc(C)c(S(=O)(=O)N2CC(Oc3ccnc(N(C)CCCN4CCC(c5ccccc5)(N(C)C)CC4)n3)C2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.33
HTR7 P34969 1/20 0.33
OPRM1 P35372 8/20 0.31
OPRL1 P41146 7/20 0.31
AVPR1B P47901 1/20 0.31
NAAA Q02083 1/20 0.31
AVPR1A P37288 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 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
SCHEMBL2834822 0.96 OPRM1 (0.32) BDKRB1OPRM1OPRL1NAAA
SCHEMBL2837029 0.94 OPRM1 (0.33) BDKRB1HTR7OPRM1OPRL1NAAA
SCHEMBL2834663 0.90 OPRM1 (0.33) BDKRB1OPRM1OPRL1NAAALMNA
SCHEMBL2835461 0.88 BDKRB1 (0.34) BDKRB1HTR7OPRM1OPRL1
SCHEMBL2835307 0.87 OPRM1 (0.31) BDKRB1OPRM1OPRL1AVPR1BNAAA
SCHEMBL2835308 0.86 OPRM1 (0.35) OPRM1OPRL1
SCHEMBL2835616 0.86 NAAA (0.30) BDKRB1NAAA
SCHEMBL2834819 0.85 OPRM1 (0.31) OPRM1OPRL1NAAA
SCHEMBL2834820 0.85 OPRM1 (0.36) OPRM1OPRL1NAAA
SCHEMBL2833740 0.84 BDKRB1 (0.33) BDKRB1OPRM1OPRL1

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 BDKRB1 46/4885HTR7 643/4885OPRM1 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.