SCHEMBL3360073

SCHEMBL3360073

CCOC(=O)c1cnn(Cc2ccc(OC)cc2)c1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
UCHL1 P09936 1/20 0.54
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 6/20 0.48
NPBWR1 P48145 2/20 0.47
TRPC1 P48995 1/20 0.47
TRPC3 Q13507 1/20 0.47
STIM1 Q13586 1/20 0.47
ORAI1 Q96D31 1/20 0.47
STIM2 Q9P246 1/20 0.47
MAPT P10636 5/20 0.46
PDE4B Q07343 1/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 5/20 0.45
GAA P10253 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL16246946 0.90 NPC1 (0.58) NPC1LMNAUCHL1KMT2ASMN1; SMN2
SCHEMBL3356344 0.86 MEN1 (0.52) NPC1UCHL1KMT2ASMN1; SMN2NPBWR1
SCHEMBL3355835 0.86 NPBWR1 (0.51) NPC1UCHL1KMT2ANPBWR1MEN1
SCHEMBL3358730 0.85 NPBWR1 (0.48) NPC1LMNAUCHL1KMT2ANPBWR1
SCHEMBL28327863 0.85 NPBWR1 (0.50) NPC1LMNAUCHL1KMT2ANPBWR1
SCHEMBL20745892 0.83 NPC1 (0.59) NPC1LMNAUCHL1KMT2ASMN1; SMN2
SCHEMBL7982141 0.83 NPBWR1 (0.48) NPBWR1L3MBTL1MAPK1
SCHEMBL23122494 0.82 NPC1 (0.58) NPC1LMNAUCHL1KMT2ASMN1; SMN2
SCHEMBL370942 0.82 LMNA (0.80) NPC1LMNAUCHL1KMT2ASMN1; SMN2
SCHEMBL31564734 0.82 NPC1 (0.58) NPC1LMNAUCHL1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524718-B2 Heteroaromatic derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE (CH) 2012-12-27 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-10 US disclosed
EP-2181110-A2 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2010-05-05 EP disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed
WO-2009010455-A2 PYRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2009-01-22 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 (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-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM4, GRM2 NPC1 2378/4885LMNA 4777/4885UCHL1 3556/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 NPC1 2504/4885LMNA 4754/4885UCHL1 3651/4885
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 NPC1 708/4885LMNA 4210/4885UCHL1 1234/4885

“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.