SCHEMBL4178438

SCHEMBL4178438

CS(=O)(=O)c1cccc(OCCCN2CCN(CCOc3ccc(F)cc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
DRD2 P14416 7/20 0.52
HTR1A P08908 6/20 0.52
HTR2A P28223 4/20 0.52
DRD3 P35462 4/20 0.52
HRH1 P35367 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
TMEM97 Q5BJF2 1/20 0.52
DRD1 P21728 3/20 0.51
HTR6 P50406 3/20 0.51
HTR7 P34969 3/20 0.50
DRD5 P21918 2/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
LTA4H P09960 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL4179707 0.96 DRD2 (0.53) USP2ALDH1A1HPGDDRD2HTR1A
SCHEMBL1730296 0.88 HTR1A (0.46) DRD2HTR1AHTR2AHTR6HTR7
SCHEMBL4185461 0.88 USP2 (0.60) USP2ALDH1A1HPGDDRD2HTR1A
SCHEMBL1728664 0.88 KDM4E (0.51) ALDH1A1DRD2HTR1ADRD3HTR6
SCHEMBL1730436 0.87 HTR1A (0.50) USP2ALDH1A1HPGDDRD2HTR1A
SCHEMBL1728660 0.84 HTR1A (0.48) DRD2HTR1AHTR2AHTR6HTR7
SCHEMBL4184854 0.84 LTA4H (0.58) USP2ALDH1A1HPGDDRD2HTR1A
SCHEMBL4188853 0.84 KDM4E (0.47) ALDH1A1DRD2HTR1AHTR2AHTR6
SCHEMBL1730314 0.83 HTR1A (0.53) DRD2HTR1AHTR6HTR7SLC6A2
SCHEMBL4179288 0.80 USP2 (0.48) USP2ALDH1A1HPGDDRD2HTR1A

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 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.