SCHEMBL1728660

SCHEMBL1728660

CS(=O)(=O)c1cccc(OCCN2CCN(CCOc3ccc(F)cc3F)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.48
HTR7 P34969 13/20 0.48
DRD2 P14416 10/20 0.48
HTR6 P50406 7/20 0.48
HTR2A P28223 5/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
MAPK14 Q16539 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM1A O60341 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LTA4H P09960 1/20 0.42

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
SCHEMBL1730296 0.97 HTR1A (0.46) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL4188853 0.91 KDM4E (0.47) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL1728664 0.88 KDM4E (0.51) HTR1AHTR7DRD2HTR6LMNA
SCHEMBL4168448 0.88 HRH3 (0.47) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL4179707 0.88 DRD2 (0.53) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL1730433 0.87 HTR1A (0.47) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL4179288 0.85 USP2 (0.48) HTR1ADRD2HTR2AMAPK14LMNA
SCHEMBL1728667 0.85 HTR1A (0.45) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL4178438 0.84 USP2 (0.53) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL4177226 0.79 LTA4H (0.58) HTR1AHTR7DRD2LMNAMAPK1

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 170/4885DRD2 61/4885

“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.