SCHEMBL1156823

SCHEMBL1156823

CC(C)c1c(CN(C)C(=O)O)cn(S(=O)(=O)c2ccccc2)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.44
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40
TNF P01375 2/20 0.38
TNFSF11 O14788 1/20 0.36
LIPE Q05469 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL1156759 0.87 HTR6 (0.39) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL1156334 0.86 HTR6 (0.45) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL1156762 0.84 HTR6 (0.38) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL1156172 0.83 HTR6 (0.44) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL1580552 0.79 HTR6 (0.45) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL1156825 0.79 HTR6 (0.44) HTR6HTR1ADRD2HTR1DHTR1B
Hydrochloric Acid SCHEMBL1157121 0.78 HTR6 (0.44) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL1156757 0.75 ALOX5 (0.35) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL1156577 0.73 HTR6 (0.40) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL1157173 0.73 HTR6 (0.46) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308605-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
EP-2336107-B1 Proton pump inhibitors TAKEDA PHARMACEUTICAL (JP) 2015-09-23 EP disclosed
US-20140343070-A1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-20 US disclosed
EP-1803709-B1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-02 EP disclosed
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
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-06-12 US disclosed
EP-1803709-A1 PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-07-04 EP 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 (4 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-20140343070-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 HTR6 1438/4885HTR1A 500/4885DRD2 1576/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 HTR6 1293/4885HTR1A 499/4885DRD2 1593/4885
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use PTGER1, PTGER3, NR3C1 HTR6 949/4885HTR1A 80/4885DRD2 2428/4885
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.