SCHEMBL1107072

SCHEMBL1107072

CC(=O)C1CNc2cc(C(F)(F)F)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36

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
SCHEMBL1210201 0.88 HPGD (0.45) HPGDKMT2ACYP2C19CYP1A2CYP3A4
SCHEMBL538597 0.83 HSD17B10 (0.44) HPGDKMT2ACYP2C19CYP1A2CYP3A4
SCHEMBL11547612 0.78 HSD17B10 (0.49) HPGDKMT2ACYP2C19CYP1A2CYP3A4
SCHEMBL15373676 0.75 HPGD (0.62) HPGDKMT2ACYP2C19CYP1A2CYP3A4
SCHEMBL16844062 0.70 HPGD (0.42) HPGDKMT2ACYP2C19CYP1A2CYP3A4
SCHEMBL18144720 0.70 HPGD (0.42) HPGDKMT2ACYP2C19CYP1A2CYP3A4
SCHEMBL4980558 0.69 CHRNB2 (0.43) HPGDKMT2AHSD17B10SMN1; SMN2MAPT
SCHEMBL15148439 0.69 KMT2A (0.68) HPGDKMT2ACYP2C19CYP1A2CYP3A4
SCHEMBL2576906 0.68 CYSLTR1 (0.46) HPGDKMT2ACYP2C19CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11549430 0.68 KMT2A (0.67) HPGDKMT2ACYP2C19CYP1A2CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 US disclosed
US-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2011-02-03 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 HPGD 573/4885KMT2A 4331/4885CYP2C19 2995/4885
US-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 HPGD 573/4885KMT2A 4331/4885CYP2C19 2995/4885
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 HPGD 573/4885KMT2A 4331/4885CYP2C19 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.