SCHEMBL537789

SCHEMBL537789

CN1CC(C(=O)O)Oc2ccc(C(F)(F)F)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 2/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NOTUM Q6P988 2/20 0.45
SIRT2 Q8IXJ6 2/20 0.44
SIRT1 Q96EB6 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
S1PR5 Q9H228 3/20 0.42
S1PR1 P21453 2/20 0.42
GRK5 P34947 1/20 0.42
CDK8 P49336 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
RORC P51449 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL7818136 0.83 ALDH1A1 (0.57) POLBCYP2C9CYP2C19HPGDMEN1
SCHEMBL17443415 0.82 NISCH (0.48) POLBCYP2C9CYP2C19HPGDMEN1
SCHEMBL29527101 0.79 POLB (0.66) POLBCYP2C9CYP2C19MEN1KMT2A
SCHEMBL3355665 0.79 POLB (0.66) POLBCYP2C9CYP2C19MEN1KMT2A
SCHEMBL924610 0.79 POLB (0.46) POLBCYP2C9CYP2C19HPGDMEN1
SCHEMBL14781426 0.78 POLB (0.55) POLBCYP2C9CYP2C19HPGDMEN1
SCHEMBL925260 0.78 SIRT1 (0.48) POLBCYP2C9HPGDKMT2ASIRT2
SCHEMBL17447904 0.77 POLB (0.44) POLBCYP2C9CYP2C19HPGDMEN1
SCHEMBL18581376 0.75 NISCH (0.57) POLBCYP2C9MEN1KMT2ASIRT1
SCHEMBL909704 0.73 PTGS1 (0.47) POLBCYP2C9CYP2C19HPGDPTGS1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240467-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2013-03-20 EP claimed
US-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG 2013-02-21 US claimed
EP-2215054-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2010-08-11 EP claimed
WO-2009064449-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2009-05-22 WO claimed
EP-2240467-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2013-03-20 EP disclosed
EP-2240467-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2013-03-20 EP disclosed
US-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG 2013-02-21 US disclosed
US-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG 2013-02-21 US disclosed
US-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG 2013-02-21 US disclosed
US-8163901-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-24 US disclosed
US-8163901-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-24 US disclosed
US-8163901-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-24 US disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 US disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 US disclosed
EP-2240467-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2010-10-20 EP disclosed
EP-2215054-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2010-08-11 EP disclosed
WO-2009089057-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INS. (US) 2009-07-16 WO disclosed
WO-2009089057-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INS. (US) 2009-07-16 WO disclosed
WO-2009064449-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2009-05-22 WO disclosed
WO-2009064449-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2009-05-22 WO 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-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 POLB 4456/4885CYP2C9 2860/4885CYP2C19 2995/4885
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 POLB 4456/4885CYP2C9 2860/4885CYP2C19 2995/4885

“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.