SCHEMBL2903473

SCHEMBL2903473

O=C(C=CN1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 3/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 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
SCHEMBL2908214 0.89 ALDH1A1 (0.47) HTTLMNAALDH1A1
SCHEMBL2903285 0.87 LMNA (0.50) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL2910357 0.84 SMN1; SMN2 (0.52) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL2905409 0.84 MEN1 (0.61) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL2908712 0.84 ALDH1A1 (0.50) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL2905713 0.83 ALDH1A1 (0.46) HTTALDH1A1SMN1; SMN2SIGMAR1KDM4E
SCHEMBL2906206 0.79 ALDH1A1 (0.48) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL2906383 0.78 MAPT (0.53) HTTLMNAMEN1KMT2AALDH1A1
SCHEMBL2904033 0.78 SIGMAR1 (0.54) HTTMEN1KMT2ASIGMAR1POLB
SCHEMBL4384007 0.77 ALDH1A1 (0.46) HTTLMNAMEN1KMT2AALDH1A1

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 4 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-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 HTT 2817/4885LMNA 1615/4885MEN1 1701/4885
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS F2R, F2RL1, F2RL3 HTT 2817/4885LMNA 1615/4885MEN1 1701/4885

“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.