SCHEMBL990997

SCHEMBL990997

CCOc1cc(C(=O)N2CCCCCC2)cnc1Nc1ccc(Cl)cc1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.81
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50

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
SCHEMBL990783 0.89 GRM5 (1.00) GRM5
SCHEMBL991073 0.89 GRM5 (1.00) GRM5
SCHEMBL990217 0.87 GRM5 (0.71) GRM5SMN1; SMN2GAAHPGDL3MBTL1
SCHEMBL990274 0.87 GRM5 (0.71) GRM5SMN1; SMN2GAAHPGDL3MBTL1
SCHEMBL992711 0.83 GRM5 (0.76) GRM5
SCHEMBL24100831 0.82 GRM5 (0.63) GRM5SMN1; SMN2HPGDL3MBTL1
SCHEMBL24100503 0.80 GRM5 (0.54) GRM5SMN1; SMN2GAAHPGDL3MBTL1
SCHEMBL990208 0.80 GRM5 (0.73) GRM5
SCHEMBL24100465 0.80 GRM5 (0.53) GRM5SMN1; SMN2GAAHPGDL3MBTL1
SCHEMBL24101031 0.78 GRM5 (0.60) GRM5HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005363-A1 Organic Compounds NOVARTIS AG (CH) 2009-01-01 US claimed
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
WO-2008031550-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS NOVARTIS AG (CH) 2008-03-20 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 GRM5 1/4885SMN1; SMN2 2443/4885GAA 3737/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885SMN1; SMN2 2305/4885GAA 3989/4885
US-20090005363-A1 Organic Compounds NNT, NAPRT, CHRNA5 GRM5 680/4885SMN1; SMN2 1196/4885GAA 684/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885SMN1; SMN2 2305/4885GAA 3989/4885

“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.