SCHEMBL1728667

SCHEMBL1728667

O=S(=O)(c1cccc(OCCCN2CCN(CCOc3ccc(F)cc3F)CC2)c1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.45
HTR7 P34969 11/20 0.45
HTR6 P50406 7/20 0.45
DRD2 P14416 7/20 0.45
NFE2L2 Q16236 1/20 0.43
EPHX2 P34913 3/20 0.43
EPAS1 Q99814 1/20 0.43
HTR2A P28223 3/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
MAPK14 Q16539 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1730433 0.97 HTR1A (0.47) HTR1AHTR7HTR6DRD2EPAS1
SCHEMBL1728654 0.92 KDM4E (0.49) HTR1AHTR7NFE2L2EPHX2L3MBTL1
SCHEMBL1730942 0.89 EPAS1 (0.45) HTR1AHTR7HTR6DRD2EPAS1
SCHEMBL1730436 0.89 HTR1A (0.50) HTR1AHTR7HTR6DRD2EPHX2
SCHEMBL4174270 0.89 HTR1A (0.50) HTR1AHTR7HTR6DRD2L3MBTL1
SCHEMBL1730296 0.88 HTR1A (0.46) HTR1AHTR7HTR6DRD2NFE2L2
SCHEMBL1730234 0.86 EPAS1 (0.47) HTR1AHTR7HTR6DRD2EPAS1
SCHEMBL1730314 0.85 HTR1A (0.53) HTR1AHTR7HTR6DRD2L3MBTL1
SCHEMBL1728660 0.85 HTR1A (0.48) HTR1AHTR7HTR6DRD2HTR2A
SCHEMBL4182228 0.83 LTA4H (0.55) HTR1AHTR7DRD2EPHX2L3MBTL1

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-20090221607-A1 Piperazine Derivatives M'S SCIENCE CORPORATION (JP) 2009-09-03 US claimed
EP-1988902-B1 PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-23 EP disclosed
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 HTR1A 25/4885HTR7 170/4885HTR6 197/4885

“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.