SCHEMBL1156887

SCHEMBL1156887

CCc1c(CN(C)C(=O)OC(C)(C)C)cn(S(=O)(=O)c2ccccc2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.41
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
HTR1D P28221 2/20 0.37
HTR1B P28222 2/20 0.37
HTR1F P30939 2/20 0.37
HTR7 P34969 2/20 0.37
DRD3 P35462 2/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
TNF P01375 1/20 0.36
MMP13 P45452 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HTR1E P28566 1/20 0.35
TNFSF11 O14788 1/20 0.34
CCR5 P51681 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
SCHEMBL1156911 0.88 HTR6 (0.39) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL1157173 0.86 HTR6 (0.46) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL1156577 0.84 HTR6 (0.40) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL1156889 0.79 HTR6 (0.40) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL1156621 0.79 HTR2C (0.42) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL4411752 0.77 HTR2C (0.41) HTR6HTR2CSLC6A4TNFMMP13
SCHEMBL1156759 0.77 HTR6 (0.39) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL1156207 0.76 HTR6 (0.46) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL1157164 0.74 HTR2C (0.42) HTR6HTR2CSLC6A4TNF
SCHEMBL1156172 0.73 HTR6 (0.44) HTR6HTR1ADRD2HTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048909-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-01 US disclosed
EP-2336107-A2 Proton pump inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed
US-20110028476-A1 PROTON PUMP INHIBITORS KAJINO MASAHIRO 2011-02-03 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-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 HTR6 1412/4885HTR1A 479/4885DRD2 1562/4885

“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.