SCHEMBL597207

SCHEMBL597207

FC(F)(F)c1cccc2c1C[N]CC2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.36
PHGDH O43175 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TEAD1 P28347 1/20 0.32
TEAD4 Q15561 1/20 0.32
TEAD2 Q15562 1/20 0.32
ACACB O00763 3/20 0.32
AXL P30530 1/20 0.32
SCN9A Q15858 1/20 0.31
AADAT Q8N5Z0 1/20 0.31
DRD2 P14416 1/20 0.31
HDAC11 Q96DB2 1/20 0.30
METAP1 P53582 1/20 0.30
GRM5 P41594 1/20 0.30
GRM1 Q13255 1/20 0.30

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
SCHEMBL3122879 0.86 NOTUM (0.36) NOTUMPHGDHTAAR1ALDH1A1L3MBTL1
SCHEMBL2300158 0.76 DRD2 (0.41) NOTUML3MBTL1DRD2
Ammonia Solution, Strong SCHEMBL28101207 0.75 NOTUM (0.40) NOTUMPHGDHALDH1A1L3MBTL1TEAD1
SCHEMBL13535454 0.73 BCL2L1 (0.50) NOTUMPHGDHALDH1A1L3MBTL1ACACB
SCHEMBL18559928 0.73 BCL2L1 (0.45) NOTUMPHGDHTAAR1ALDH1A1TEAD1
SCHEMBL5540906 0.72 NOS3 (0.33)
SCHEMBL2299222 0.72 ADRA2A (0.47) TAAR1
SCHEMBL3129092 0.72 TRPA1 (0.37)
SCHEMBL17288932 0.69 NOTUM (0.36) NOTUMPHGDHALDH1A1L3MBTL1TEAD1
SCHEMBL2302441 0.69 TRPA1 (0.41) NOTUMALDH1A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP claimed
WO-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 WO claimed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 US claimed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
WO-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 WO disclosed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 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 (4 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-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF C3AR1, C5AR1, C5AR2 NOTUM 3558/4885PHGDH 4146/4885TAAR1 1370/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I NOTUM 1292/4885PHGDH 1756/4885TAAR1 1561/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 NOTUM 769/4885PHGDH 1930/4885TAAR1 4690/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 NOTUM 769/4885PHGDH 1930/4885TAAR1 4690/4885

“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.