SCHEMBL5148459

SCHEMBL5148459

CN(CC#N)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.39
PYCR1 P32322 2/20 0.39
TAAR1 Q96RJ0 1/20 0.36
MAOB P27338 4/20 0.35
MAOA P21397 3/20 0.35
AOC3 Q16853 1/20 0.34
NSD2 O96028 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL6675221 0.81 GLA (0.47) PYCR1MAOBL3MBTL1ALDH1A1MAPT
SCHEMBL6671505 0.79 PYCR1 (0.39) PYCR1TAAR1MAOBMAOAL3MBTL1
SCHEMBL9174261 0.79 CYP2A6 (0.43) SLC6A4KDM4EALDH1A1GAA
SCHEMBL9049726 0.79 PYCR1 (0.56) APPPYCR1TAAR1MAOBMAOA
SCHEMBL304704 0.78 MAOB (0.47) PYCR1TAAR1MAOBMAOAAOC3
SCHEMBL6572215 0.78 ALDH1A1 (0.40) MAOBL3MBTL1KDM4EALDH1A1GAA
SCHEMBL6553719 0.77 MAOB (0.34) MAOB
SCHEMBL6078888 0.76 KIF11 (0.41) MAOBKDM4EALDH1A1MAPTMAPK1
SCHEMBL6671917 0.76 RPS6KA2 (0.44) APPPYCR1MAOBMAOAAOC3
SCHEMBL11331207 0.75 CYP2A6 (0.53) KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
EP-1723120-A4 ION CHANNEL MODULATORS WYETH CORP (US) 2007-09-26 EP disclosed
US-20070197619-A1 Ion Channel Modulators WYETH 2007-08-23 US disclosed
US-20070197619-A1 Ion Channel Modulators WYETH 2007-08-23 US disclosed
US-20070197619-A1 Ion Channel Modulators WYETH 2007-08-23 US disclosed
CN-1942447-A Ion channel modulators WHETH CORP (US) 2007-04-04 CN disclosed
CN-1930132-A Ion channel modulators WYETH CORP (US) 2007-03-14 CN disclosed
EP-1723120-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
EP-1723117-A2 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
WO-2005086836-A2 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005087748-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 APP 373/4885PYCR1 2177/4885TAAR1 2156/4885
US-20070197619-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 APP 373/4885PYCR1 2177/4885TAAR1 2156/4885

“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.