SCHEMBL2834743

SCHEMBL2834743

COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2COc2nccc(N3CCN(C4CCN(C)CC4)CC3)n2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.40
ELANE P08246 5/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
HTR1A P08908 2/20 0.36
ACVR1 Q04771 3/20 0.35
HTR7 P34969 2/20 0.35
CASP3 P42574 2/20 0.35
CASP7 P55210 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2833988 0.98 BDKRB1 (0.39) BDKRB1ELANEHRH3KDM2BHTR1A
SCHEMBL2361261 0.97 BDKRB1 (0.40) BDKRB1ELANEHRH3KDM2BHTR1A
SCHEMBL2832620 0.95 BDKRB1 (0.39) BDKRB1ELANEHRH3KDM2BHTR1A
SCHEMBL2834971 0.94 HTR7 (0.38) HTR7CASP3CASP7TMEM97SIGMAR1
SCHEMBL2835902 0.91 ALDH1A1 (0.38) HTR7CASP3CASP7TMEM97SIGMAR1
SCHEMBL2835399 0.88 HTR2A (0.41) BDKRB1ELANEHTR1AHTR7CASP3
SCHEMBL2830988 0.87 KMT2A (0.40) HTR7CASP3CASP7TMEM97SIGMAR1
SCHEMBL2360744 0.86 CASP3 (0.41) HTR7CASP3CASP7TMEM97SIGMAR1
SCHEMBL2836488 0.86 BDKRB1 (0.40) BDKRB1ELANEKDM2BHTR1AACVR1
SCHEMBL2835479 0.85 KDM4E (0.41) CASP3CASP7KDM4EALDH1A1LMNA

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 5 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
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 46/4885ELANE 4465/4885HRH3 247/4885

“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.