SCHEMBL1730776

SCHEMBL1730776

O=S(=O)(c1ccc(OCCCN2CCN(CCOc3ccc(F)cc3)CC2)cc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
HTR1A P08908 5/20 0.53
DRD2 P14416 4/20 0.53
HTR2A P28223 4/20 0.53
DRD3 P35462 4/20 0.53
SIGMAR1 Q99720 2/20 0.53
HRH1 P35367 2/20 0.53
TMEM97 Q5BJF2 1/20 0.53
HTR7 P34969 2/20 0.53
LTA4H P09960 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
HRH3 Q9Y5N1 6/20 0.52
DRD1 P21728 3/20 0.52
DRD5 P21918 2/20 0.51
KCNH2 Q12809 2/20 0.51

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
SCHEMBL1728945 0.96 HTR1A (0.56) USP2ALDH1A1HPGDHTR1ADRD2
SCHEMBL1730942 0.89 EPAS1 (0.45) USP2ALDH1A1HPGDHTR1ADRD2
SCHEMBL4184121 0.89 KDM4E (0.52) ALDH1A1HTR1ADRD2HTR2ADRD3
SCHEMBL1730436 0.89 HTR1A (0.50) USP2ALDH1A1HPGDHTR1ADRD2
SCHEMBL1730234 0.85 EPAS1 (0.47) HTR1ADRD2HTR2AHTR7LTA4H
SCHEMBL4185461 0.85 USP2 (0.60) USP2ALDH1A1HPGDHTR1ADRD2
SCHEMBL1730238 0.84 L3MBTL1 (0.52) ALDH1A1HTR1AHTR7LTA4HMEN1
SCHEMBL1730314 0.84 HTR1A (0.53) HTR1ADRD2HTR7LTA4HLMNA
SCHEMBL13698800 0.84 USP2 (0.73) USP2ALDH1A1HPGDHTR1ADRD2
Hydrochloric Acid SCHEMBL1730768 0.82 USP2 (0.71) USP2ALDH1A1HPGDHTR1ADRD2

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 USP2 3002/4885ALDH1A1 305/4885HPGD 2043/4885

“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.