SCHEMBL2908554

SCHEMBL2908554

O=C(C=CN1CCN(CCc2ccccc2)CC1)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
KCNH2 Q12809 1/20 0.48
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
HTR2A P28223 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
THRB P10828 1/20 0.45
SLC6A3 Q01959 1/20 0.44
OPRM1 P35372 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KCNA5 P22460 1/20 0.44

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
SCHEMBL2903083 0.91 HTR2A (0.46) KCNH2HTR2A
SCHEMBL4379112 0.85 P2RX7 (0.53) SIGMAR1THRBKCNA5
SCHEMBL2904033 0.81 SIGMAR1 (0.54) KMT2AMEN1KCNH2POLBGAA
SCHEMBL2903101 0.81 SIGMAR1 (0.51) KMT2AMEN1SIGMAR1
SCHEMBL2906083 0.80 SIGMAR1 (0.57) KMT2AMEN1SIGMAR1HDAC8
SCHEMBL2905724 0.80 FAAH (0.53) KMT2AMEN1POLBGAASIGMAR1
SCHEMBL2905103 0.79 F2R (0.57) KMT2AMEN1
SCHEMBL2904068 0.79 LMNA (0.51) KMT2AMEN1POLB
SCHEMBL2907155 0.78 ALDH1A1 (0.56) KMT2AMEN1KCNH2HTR2ASLC6A3
SCHEMBL2909313 0.78 FAAH (0.52) KMT2AMEN1SIGMAR1

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 KMT2A 2861/4885MEN1 1701/4885KCNH2 1649/4885
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS F2R, F2RL1, F2RL3 KMT2A 2861/4885MEN1 1701/4885KCNH2 1649/4885

“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.