SCHEMBL1008256

SCHEMBL1008256

CC(=O)NCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
F13A1 P00488 1/20 0.64
PLAAT3 P53816 1/20 0.58
PLAAT5 Q96KN8 1/20 0.58
PLAAT2 Q9NWW9 1/20 0.58
PLAAT4 Q9UL19 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CNR1 P21554 1/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
PTGS1 P23219 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LTA4H P09960 1/20 0.53
EPHX2 P34913 1/20 0.53

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
SCHEMBL10592850 0.85 KDM4E (0.84) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL27458185 0.85 KDM4E (0.62) KDM4EF13A1SMN1; SMN2CNR1ALDH1A1
SCHEMBL12184914 0.84 ESRRG (0.67) KDM4EF13A1SMN1; SMN2CNR1ALDH1A1
SCHEMBL2771700 0.84 PLAAT3 (0.64) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL21824256 0.83 PLAAT3 (0.56) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL13361545 0.83 LTA4H (0.58) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL3736057 0.83 PTPN1 (0.62) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5553483 0.83 PLAAT3 (0.58) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL2629356 0.82 LSS (0.59) KMT2AALDH1A1MAPTEPHX2HDAC1
SCHEMBL7903136 0.82 PLAAT3 (0.55) PLAAT3PLAAT5PLAAT2PLAAT4CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445758-B1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS SCRIPPS RESEARCH INST (US) 2020-11-04 EP disclosed
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
CN-101501036-B Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO KGAA 2013-04-17 CN disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 US disclosed
US-8247418-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-08-21 US disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
EP-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
EP-1501803-B1 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2008-08-13 EP disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20070299104-A1 Tetrahydropyranyl Cyclopentyl 1-Substituted and 1,1-Disubstituted Tetrahydroisoquinoline Modulators of Chemokine Receptor Activity MERCK & CO., INC. (US) 2007-12-27 US disclosed
US-20070299104-A1 Tetrahydropyranyl Cyclopentyl 1-Substituted and 1,1-Disubstituted Tetrahydroisoquinoline Modulators of Chemokine Receptor Activity MERCK & CO., INC. (US) 2007-12-27 US disclosed
US-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 US disclosed
US-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 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-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A KDM4E 1314/4885F13A1 4584/4885PLAAT3 1958/4885
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 KDM4E 1101/4885F13A1 2836/4885PLAAT3 3103/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 KDM4E 1357/4885F13A1 2920/4885PLAAT3 3750/4885
US-20070299104-A1 Tetrahydropyranyl Cyclopentyl 1-Substituted and 1,1-Disubstituted Tetrahydroisoquinoline Modulators of Chemokine Receptor Activity CXCR1, CCR5, CXCR5 KDM4E 4065/4885F13A1 1314/4885PLAAT3 1114/4885

“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.