SCHEMBL2835496

SCHEMBL2835496

Cc1cccc(S(=O)(=O)N2CCCCC2COc2ccnc(N3CCC(c4cccc(F)c4)(N4CCN(C)CC4)CC3)n2)c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SLC6A4 P31645 1/20 0.33
ALOX15 P16050 1/20 0.32
CASP3 P42574 5/20 0.32
HTR7 P34969 6/20 0.31
HTR1A P08908 3/20 0.31
DRD2 P14416 3/20 0.31
HTR2A P28223 2/20 0.31
HTR6 P50406 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
HTR1D P28221 2/20 0.31
HTR2B P41595 2/20 0.31
DRD3 P35462 1/20 0.31
CASP7 P55210 2/20 0.31
BDKRB1 P46663 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL2831981 0.88 SLC6A2 (0.34) SLC6A2SLC6A3SLC6A4CASP3CASP7
SCHEMBL2835767 0.77 CASP3 (0.32) CASP3HTR7CASP7
SCHEMBL2833663 0.73 HTR7 (0.33) SLC6A2SLC6A3SLC6A4CASP3HTR7
SCHEMBL2836548 0.72 CA12 (0.38) CASP3HTR7HRH4CASP7CA12
SCHEMBL3406648 0.70 HCRTR1 (0.36) CASP3CASP7BDKRB1
SCHEMBL2832782 0.69 CA12 (0.39) CASP3HTR7CASP7CA12CA1
SCHEMBL3408124 0.69 BDKRB1 (0.41) BDKRB1
SCHEMBL3408252 0.68 HTR7 (0.47) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL3412223 0.68 BDKRB1 (0.36) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL3410519 0.68 BDKRB1 (0.38) CASP3CASP7BDKRB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 US claimed

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 SLC6A2 2863/4885SLC6A3 2272/4885SLC6A4 2062/4885

“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.