SCHEMBL537513

SCHEMBL537513

FC(F)(F)C1CCc2ccccc2N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.44
MTNR1A P48039 3/20 0.39
SMYD3 Q9H7B4 1/20 0.38
NPC1 O15118 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
PLAU P00749 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2C P28335 1/20 0.32
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8931357 0.81 MTNR1A (0.42) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL30681543 0.81 PNMT (0.56) PNMTMAPTGAAAR
SCHEMBL11746483 0.77 ESR1 (0.36) PNMTNPC1MAPTGAAKDM4E
SCHEMBL24427517 0.77 GAA (0.36) GAAARALDH1A1
SCHEMBL23352926 0.76 MTNR1A (0.45) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL11746431 0.76 PNMT (0.49) PNMTMAPTHTR2C
SCHEMBL21505326 0.74 PNMT (0.68) PNMT
SCHEMBL19774297 0.74 MTNR1A (0.47) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL22262392 0.74 MTNR1A (0.49) PNMTMTNR1ASMYD3NPC1MAPK13
SCHEMBL22262394 0.74 MTNR1A (0.49) PNMTMTNR1ASMYD3NPC1MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103709072-B Optically active trifluoromethyl amine compound and preparation method thereof CHINESE ACAD INST CHEMISTRY 2015-06-24 CN disclosed
WO-2015040424-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AND THEIR USE AS PYRUVATE DEHYDROGENASE KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2015-03-26 WO disclosed
CN-103709072-A Optically active trifluoromethyl amine compound and preparation method thereof CHINESE ACAD INST CHEMISTRY 2014-04-09 CN disclosed
CN-102850349-A Fused, tricyclic sulfonamide inhibitors of gamma secretase ELAN PHARM INC 2013-01-02 CN disclosed
CN-101501032-B fused tricyclic sulfonamides as gamma secretase inhibitors ELAN PHARM INC 2012-10-10 CN disclosed
EP-2450358-A1 Fused, tricyclic sulfonamide inhibitors of gamma secretase Elan Pharmaceuticals Inc. (US) 2012-05-09 EP disclosed
EP-2450358-A1 Fused, tricyclic sulfonamide inhibitors of gamma secretase Elan Pharmaceuticals Inc. (US) 2012-05-09 EP 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
EP-2215054-B8 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2012-02-08 EP disclosed
EP-2215054-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS INC (US) 2011-08-31 EP 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-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
CN-101501032-A Fused tricyclic sulfonamides as gamma secretase inhibitors ELAN PHARM INC (US) 2009-08-05 CN 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
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 US disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 US disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 US disclosed
WO-2007143523-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-12-13 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-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 PNMT 4597/4885MTNR1A 2992/4885SMYD3 2335/4885
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 PNMT 4063/4885MTNR1A 1153/4885SMYD3 4803/4885

“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.