SCHEMBL2908648

SCHEMBL2908648

O=C(C=CN1CCN(Cc2ccccc2F)CC1)c1c(F)cccc1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 4/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
POLB P06746 2/20 0.51
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
ATM Q13315 2/20 0.50
MAPK1 P28482 1/20 0.50
GPR183 P32249 1/20 0.50
CYP2A13 Q16696 1/20 0.48
ALDH3A1 P30838 1/20 0.45
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL2908298 0.90 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAHTTPOLB
SCHEMBL2902827 0.85 FAAH (0.51) KMT2AMEN1ATMGPR183SIGMAR1
SCHEMBL2908745 0.84 DRD4 (0.49) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL2906184 0.83 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAHTTPOLB
SCHEMBL2905864 0.83 KDM4E (0.58) ALDH1A1KDM4ELMNAHTTPOLB
SCHEMBL2906206 0.83 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAHTTPOLB
SCHEMBL2909991 0.81 KDM4E (0.57) ALDH1A1KDM4ELMNAHTTKMT2A
SCHEMBL2903733 0.81 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAHTTKMT2A
SCHEMBL2903324 0.80 FAAH (0.52) ALDH1A1KDM4ELMNAHTTPOLB
SCHEMBL2905333 0.80 OPRM1 (0.52) KMT2AMEN1SIGMAR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS PEREZ MICHEL (FR) 2012-09-13 US claimed
EP-2041104-B1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR- I ANTAGONISTS PF MEDICAMENT (FR) 2010-08-18 EP claimed
US-20090176803-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2009-07-09 US claimed
EP-2041104-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR- I ANTAGONISTS Pierre Fabre Medicament (FR) 2009-04-01 EP claimed
WO-2007147824-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR- I ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2007-12-27 WO claimed
US-8513258-B2 Cinnamoyl-piperazine derivatives and their use as par-1 antagonists PIERRE FABRE MEDICAMENT (FR) 2013-08-20 US disclosed
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS PEREZ MICHEL (FR) 2012-09-13 US disclosed
US-8217046-B2 Cinnamoyl-piperazine derivatives and their use as PAR-1 antagonists PIERRE FABRE MEDICAMENT (FR) 2012-07-10 US disclosed
EP-2041104-B1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR- I ANTAGONISTS PF MEDICAMENT (FR) 2010-08-18 EP disclosed
US-20090176803-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2009-07-09 US disclosed
EP-2041104-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR- I ANTAGONISTS Pierre Fabre Medicament (FR) 2009-04-01 EP disclosed
WO-2007147824-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR- I ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2007-12-27 WO 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 (2 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-20090176803-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS F2R, F2RL1, F2RL3 ALDH1A1 1137/4885KDM4E 3494/4885LMNA 1615/4885
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS F2R, F2RL1, F2RL3 ALDH1A1 1137/4885KDM4E 3494/4885LMNA 1615/4885

“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.