SCHEMBL2905409

SCHEMBL2905409

O=C(C=CN1CCN(Cc2ccccc2F)CC1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 9/20 0.50
KDM4E B2RXH2 7/20 0.50
LMNA P02545 5/20 0.50
HTT P42858 4/20 0.50
POLB P06746 2/20 0.44
GPR183 P32249 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ACHE P22303 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL2908214 0.85 ALDH1A1 (0.47) ALDH1A1LMNAHTT
SCHEMBL2903473 0.84 HTT (0.49) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2906184 0.82 ALDH1A1 (0.54) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2903285 0.81 LMNA (0.50) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2910357 0.80 SMN1; SMN2 (0.52) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2906383 0.80 MAPT (0.53) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL4384007 0.80 ALDH1A1 (0.46) MEN1KMT2AALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL8821996 0.79 MEN1 (0.62) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2908648 0.79 ALDH1A1 (0.52) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2908712 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1KDM4ELMNA

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 10 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

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 MEN1 1701/4885KMT2A 2861/4885ALDH1A1 1137/4885
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS F2R, F2RL1, F2RL3 MEN1 1701/4885KMT2A 2861/4885ALDH1A1 1137/4885

“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.