SCHEMBL2906384

SCHEMBL2906384

Cc1cccc(C)c1CN1CCN(C(=O)C=Cc2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.72
ALDH1A1 P00352 7/20 0.63
LMNA P02545 2/20 0.57
POLB P06746 3/20 0.56
MEN1 O00255 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 5/20 0.52
MAPK1 P28482 2/20 0.50
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
F2R P25116 1/20 0.48
APP P05067 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL10300786 1.00 KMT2A (0.72) KMT2AALDH1A1LMNAPOLBMEN1
SCHEMBL14365705 0.92 KMT2A (0.60) KMT2AALDH1A1LMNAPOLBMEN1
SCHEMBL2908715 0.85 KMT2A (0.70) KMT2AALDH1A1LMNAPOLBMEN1
SCHEMBL2910362 0.85 KMT2A (0.72) KMT2AALDH1A1LMNAPOLBMEN1
SCHEMBL10300785 0.84 KMT2A (0.75) KMT2AALDH1A1LMNAPOLBMEN1
SCHEMBL4384009 0.82 KMT2A (0.83) KMT2AALDH1A1LMNAPOLBMEN1
SCHEMBL13636224 0.82 KMT2A (0.83) KMT2AALDH1A1LMNAPOLBMEN1
SCHEMBL2903289 0.82 KMT2A (0.71) KMT2AALDH1A1LMNAPOLBMEN1
SCHEMBL2908215 0.81 F2R (0.74) KMT2AALDH1A1LMNAPOLBMEN1
SCHEMBL2905851 0.81 KMT2A (0.69) KMT2AALDH1A1LMNAPOLBMEN1

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 7 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
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

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 KMT2A 2861/4885ALDH1A1 1137/4885LMNA 1615/4885
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS F2R, F2RL1, F2RL3 KMT2A 2861/4885ALDH1A1 1137/4885LMNA 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.