SCHEMBL2360732

SCHEMBL2360732

COc1cc(C)c(S(=O)(=O)N2CC(Oc3ccnc(N4CCC(N5CCN(C)CC5)CC4)n3)C2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.40
ACVR1 Q04771 6/20 0.37
HTR1A P08908 5/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
EBP Q15125 2/20 0.36
DHCR7 Q9UBM7 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
NAAA Q02083 1/20 0.35

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
SCHEMBL2835037 0.84 CHRM4 (0.36) HTR1AHCRTR1HCRTR2GPR119NAAA
SCHEMBL2834666 0.81 BDKRB1 (0.40) BDKRB1ACVR1HTR1A
SCHEMBL2364339 0.79 CYP2D6 (0.42) HCRTR1HCRTR2NAAA
SCHEMBL2836075 0.78 NAAA (0.39) HCRTR1HCRTR2NAAA
SCHEMBL2836061 0.78 ALDH1A1 (0.35) HCRTR1HCRTR2GPR119NAAA
SCHEMBL2832998 0.78 HTR1A (0.40) BDKRB1ACVR1HTR1A
SCHEMBL14715495 0.78 KDM4E (0.38) HCRTR1HCRTR2
SCHEMBL2836488 0.78 BDKRB1 (0.40) BDKRB1ACVR1HTR1A
SCHEMBL2836034 0.77 LMNA (0.44) NAAA
SCHEMBL2839928 0.77 BDKRB1 (0.39) BDKRB1ACVR1HTR1AEBPDHCR7

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 7 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
EP-2356101-A1 PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN Grünenthal GmbH (DE) 2011-08-17 EP claimed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 US claimed
WO-2010046109-A1 PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN Grünenthal GmbH (DE) 2010-04-29 WO 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 46/4885ACVR1 1949/4885HTR1A 199/4885

“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.