SCHEMBL2364196

SCHEMBL2364196

COc1cc(C)c(S(=O)(=O)N(CCOc2nccc(N3CCC4(CCC(N5CCC5)CC4)CC3)n2)C2CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.40
HRH3 Q9Y5N1 1/20 0.36
KIF18A Q8NI77 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 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
Hydrochloric Acid SCHEMBL2831731 0.99 BDKRB1 (0.40) BDKRB1HRH3KIF18AFFAR4HTR1A
SCHEMBL2836035 0.92 BDKRB1 (0.37) BDKRB1HRH3FFAR4
SCHEMBL12342559 0.88 CYP2D6 (0.39) BDKRB1FFAR4
Hydrochloric Acid SCHEMBL14715373 0.88 DRD2 (0.33) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL2836680 0.87 CYP2D6 (0.39) BDKRB1FFAR4
SCHEMBL2832089 0.87 BDKRB1 (0.33) BDKRB1FFAR4
SCHEMBL2832213 0.84 CYP3A4 (0.38) BDKRB1
SCHEMBL2836485 0.84 CYP3A4 (0.37) BDKRB1
SCHEMBL2833938 0.84 CYP2D6 (0.39) BDKRB1FFAR4
Hydrochloric Acid SCHEMBL2837222 0.84 HTT (0.36) BDKRB1HRH3KIF18AFFAR4HTR1A

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 8 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
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
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
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 disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
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
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 46/4885HRH3 247/4885KIF18A 4006/4885

“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.