SCHEMBL2906206

SCHEMBL2906206

O=C(C=CN1CCN(Cc2ccc(F)c(F)c2)CC1)c1c(F)cccc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HTT P42858 3/20 0.48
SIGMAR1 Q99720 2/20 0.47
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45
FAAH O00519 3/20 0.44
KDM4E B2RXH2 3/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MCHR1 Q99705 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2908745 0.89 DRD4 (0.49) ALDH1A1HTTSIGMAR1FAAHKDM4E
SCHEMBL2909991 0.88 KDM4E (0.57) ALDH1A1HTTSIGMAR1LMNAFAAH
SCHEMBL2902827 0.88 FAAH (0.51) SIGMAR1FAAHMEN1KMT2A
SCHEMBL2903324 0.87 FAAH (0.52) ALDH1A1HTTPOLBLMNAFAAH
SCHEMBL2903733 0.86 ALDH1A1 (0.60) ALDH1A1HTTLMNAFAAHKDM4E
SCHEMBL2905864 0.86 KDM4E (0.58) ALDH1A1HTTPOLBLMNAFAAH
SCHEMBL2905713 0.83 ALDH1A1 (0.46) ALDH1A1HTTSIGMAR1POLBFAAH
SCHEMBL2908648 0.83 ALDH1A1 (0.52) ALDH1A1HTTSIGMAR1POLBLMNA
SCHEMBL2903473 0.79 HTT (0.49) ALDH1A1HTTSIGMAR1POLBLMNA
SCHEMBL2908298 0.79 ALDH1A1 (0.54) ALDH1A1HTTPOLBLMNAKDM4E

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 6 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
EP-2041104-B1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR- I ANTAGONISTS PF MEDICAMENT (FR) 2010-08-18 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 (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 1137/4885HTT 2817/4885SIGMAR1 464/4885
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS F2R, F2RL1, F2RL3 ALDH1A1 1137/4885HTT 2817/4885SIGMAR1 464/4885

“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.