SCHEMBL990151

SCHEMBL990151

CC(CF)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GOPC Q9HD26 1/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 1/20 0.44
CYP19A1 P11511 1/20 0.43
GAA P10253 1/20 0.42
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL1245510 0.82 NPC1 (0.53) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL14233502 0.82 NPC1 (0.53) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL22113733 0.82 NPC1 (0.53) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL178057 0.80 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL21715696 0.80 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL23689573 0.80 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL22060305 0.80 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL3662428 0.80 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL14928548 0.80 SMN1; SMN2 (0.50) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL2569574 0.80 TAAR1 (0.57) CFTRSLC6A2SLC6A4SLC6A3GOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2014-07-03 US disclosed
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2012-12-06 US disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS RALF GLATTHAR 2010-02-18 US disclosed
EP-2069305-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2009-06-17 EP disclosed
US-20090005363-A1 Organic Compounds NOVARTIS AG (CH) 2009-01-01 US disclosed
EP-1966144-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2008031550-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS NOVARTIS AG (CH) 2008-03-20 WO disclosed
WO-2007071358-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS NOVARTIS AG (CH) 2007-06-28 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 (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-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 CFTR 4548/4885SLC6A2 507/4885SLC6A4 319/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 CFTR 4582/4885SLC6A2 441/4885SLC6A4 271/4885
US-20090005363-A1 Organic Compounds NNT, NAPRT, CHRNA5 CFTR 755/4885SLC6A2 110/4885SLC6A4 361/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 CFTR 4582/4885SLC6A2 441/4885SLC6A4 271/4885

“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.