SCHEMBL1728945

SCHEMBL1728945

O=S(=O)(c1ccc(OCCN2CCN(CCOc3ccc(F)cc3)CC2)cc1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.56
HTR7 P34969 2/20 0.56
LTA4H P09960 2/20 0.56
HRH3 Q9Y5N1 3/20 0.53
KCNH2 Q12809 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PTPRZ1 P23471 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD2 P14416 2/20 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
SCHEMBL1730776 0.96 USP2 (0.54) HTR1AHTR7LTA4HHRH3KCNH2
SCHEMBL1730234 0.88 EPAS1 (0.47) HTR1AHTR7LTA4HHRH3KCNH2
SCHEMBL1730238 0.88 L3MBTL1 (0.52) HTR1AHTR7LTA4HHRH3KCNH2
SCHEMBL1730314 0.88 HTR1A (0.53) HTR1AHTR7LTA4HL3MBTL1LMNA
SCHEMBL1730942 0.85 EPAS1 (0.45) HTR1AHTR7LTA4HHRH3KCNH2
SCHEMBL2157699 0.85 DRD3 (0.50) HTR1AHTR7LTA4HPTPRZ1ALDH1A1
SCHEMBL4184121 0.85 KDM4E (0.52) HTR1AHTR7LTA4HHRH3KCNH2
SCHEMBL1730436 0.85 HTR1A (0.50) HTR1AHTR7LTA4HL3MBTL1USP2
SCHEMBL4184854 0.83 LTA4H (0.58) HTR1AHTR7LTA4HHRH3KCNH2
SCHEMBL1730306 0.82 LTA4H (0.77) HTR1AHTR7LTA4HHRH3USP2

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 170/4885LTA4H 2891/4885

“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.