SCHEMBL4168448

SCHEMBL4168448

CS(=O)(=O)c1ccc(OCCN2CCN(CCOc3ccc(F)cc3F)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
MAPK14 Q16539 1/20 0.46
KCNH2 Q12809 2/20 0.46
LTA4H P09960 1/20 0.46
SLC6A4 P31645 1/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HTR1A P08908 4/20 0.45
HTR7 P34969 4/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
DRD2 P14416 1/20 0.44
HTR6 P50406 1/20 0.44
KDM1A O60341 1/20 0.44

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
SCHEMBL4179288 0.97 USP2 (0.48) HRH3MAPK14KCNH2LTA4HSLC6A4
SCHEMBL4174772 0.88 KDM4E (0.50) HRH3KCNH2LTA4HALDH1A1HTR1A
SCHEMBL1728660 0.88 HTR1A (0.48) MAPK14LTA4HHTR1AHTR7HTR2A
SCHEMBL4184854 0.88 LTA4H (0.58) HRH3KCNH2LTA4HUSP2ALDH1A1
SCHEMBL1730234 0.86 EPAS1 (0.47) HRH3MAPK14KCNH2LTA4HHTR1A
SCHEMBL4182952 0.85 KDM4E (0.54) HRH3KCNH2LTA4HUSP2ALDH1A1
SCHEMBL1730296 0.85 HTR1A (0.46) MAPK14HTR1AHTR7HTR2ADRD2
SCHEMBL4185461 0.84 USP2 (0.60) HRH3KCNH2LTA4HUSP2ALDH1A1
SCHEMBL1730942 0.84 EPAS1 (0.45) HRH3MAPK14KCNH2LTA4HUSP2
SCHEMBL2157384 0.82 CACNA1F (0.46) KCNH2ALDH1A1HTR1AHTR7HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221607-A1 Piperazine Derivatives M'S SCIENCE CORPORATION (JP) 2009-09-03 US claimed
US-20090221607-A1 Piperazine Derivatives M'S SCIENCE CORPORATION (JP) 2009-09-03 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-20090221607-A1 Piperazine Derivatives SIGMAR1, OPRL1, OPRK1 HRH3 295/4885MAPK14 3693/4885KCNH2 608/4885

“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.