SCHEMBL1728664

SCHEMBL1728664

CS(=O)(=O)c1cccc(OCCCN2CCN(CCOc3ccccc3F)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
NFE2L2 Q16236 1/20 0.48
HTR1A P08908 7/20 0.45
HTR7 P34969 7/20 0.45
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 1/20 0.43
HTR6 P50406 1/20 0.43
DRD3 P35462 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL4188853 0.97 KDM4E (0.47) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL1730296 0.92 HTR1A (0.46) KDM4ENFE2L2HTR1AHTR7LMNA
SCHEMBL1728660 0.88 HTR1A (0.48) MEN1KMT2AHTR1AHTR7LMNA
SCHEMBL4178438 0.88 USP2 (0.53) MEN1ALDH1A1KMT2AHTR1AHTR7
SCHEMBL4182952 0.88 KDM4E (0.54) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL1728654 0.88 KDM4E (0.49) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL4179707 0.84 DRD2 (0.53) MEN1ALDH1A1KMT2AHTR1AHTR7
SCHEMBL4174772 0.84 KDM4E (0.50) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL4174270 0.84 HTR1A (0.50) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL1728667 0.80 HTR1A (0.45) NFE2L2HTR1AHTR7DRD2HTR6

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
EP-1988902-B1 PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-23 EP 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 KDM4E 4592/4885MEN1 3674/4885ALDH1A1 305/4885

“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.