SCHEMBL2909991

SCHEMBL2909991

O=C(C=CN1CCN(Cc2cccc(Cl)c2)CC1)c1c(F)cccc1F

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.57
TSHR P16473 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SIGMAR1 Q99720 1/20 0.56
FAAH O00519 2/20 0.53
ATM Q13315 1/20 0.51
CACNA1G O43497 3/20 0.50
MGLL Q99685 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 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
SCHEMBL2908745 0.90 DRD4 (0.49) KDM4EALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL2906206 0.88 ALDH1A1 (0.48) KDM4EALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL2903733 0.86 ALDH1A1 (0.60) KDM4EALDH1A1HTTFAAHMEN1
SCHEMBL2902827 0.86 FAAH (0.51) SIGMAR1FAAHATMMEN1KMT2A
SCHEMBL2905864 0.84 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2HTTTDP1
SCHEMBL2903324 0.83 FAAH (0.52) KDM4EALDH1A1HTTFAAHMEN1
SCHEMBL2906083 0.83 SIGMAR1 (0.57) KDM4EALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL2908648 0.81 ALDH1A1 (0.52) KDM4EALDH1A1HTTSIGMAR1ATM
SCHEMBL2905333 0.79 OPRM1 (0.52) SIGMAR1FAAHHDAC8MEN1KMT2A
SCHEMBL2908298 0.77 ALDH1A1 (0.54) KDM4EALDH1A1HTTTDP1ATM

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 KDM4E 3494/4885ALDH1A1 1137/4885TSHR 725/4885
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS F2R, F2RL1, F2RL3 KDM4E 3494/4885ALDH1A1 1137/4885TSHR 725/4885

“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.