SCHEMBL2903285

SCHEMBL2903285

O=C(C=CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.48
SIGMAR1 Q99720 1/20 0.45
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR183 P32249 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL2910357 0.90 SMN1; SMN2 (0.52) LMNAALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL2908214 0.90 ALDH1A1 (0.47) LMNAALDH1A1HTTFAAH
SCHEMBL2903473 0.87 HTT (0.49) LMNAALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL2903101 0.83 SIGMAR1 (0.51) SIGMAR1FAAHMGLLGPR183MEN1
SCHEMBL2908712 0.83 ALDH1A1 (0.50) LMNAALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL4384007 0.83 ALDH1A1 (0.46) LMNAALDH1A1MAPTKDM4EMAPK1
SCHEMBL2906383 0.81 MAPT (0.53) LMNAALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL2905409 0.81 MEN1 (0.61) LMNAALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL2904033 0.81 SIGMAR1 (0.54) POLBHTTSIGMAR1GAAMEN1
SCHEMBL2902110 0.77 HTT (0.43) LMNAALDH1A1SMN1; SMN2POLBKDM4E

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 LMNA 1615/4885ALDH1A1 1137/4885SMN1; SMN2 4599/4885
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS F2R, F2RL1, F2RL3 LMNA 1615/4885ALDH1A1 1137/4885SMN1; SMN2 4599/4885

“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.