SCHEMBL990914

SCHEMBL990914

N#Cc1ccc(Nc2ccc(C(=O)N3CCCCC3)cn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.72
PRKAA2 P54646 2/20 0.58
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
HSD17B10 Q99714 1/20 0.55
FASN P49327 2/20 0.51
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48

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
SCHEMBL25296254 0.87 GRM5 (0.58) GRM5PRKAA2HPGDKDM4EALDH1A1
SCHEMBL30589653 0.87 GRM5 (0.58) GRM5PRKAA2HPGDKDM4EALDH1A1
SCHEMBL990134 0.84 GRM5 (0.77) GRM5PRKAA2HPGDKDM4EALDH1A1
SCHEMBL990839 0.84 GRM5 (1.00) GRM5PRKAA2HPGDKDM4EALDH1A1
SCHEMBL991635 0.80 GRM5 (1.00) GRM5HPGDKDM4EALDH1A1POLB
SCHEMBL990918 0.80 GRM5 (1.00) GRM5HPGDKDM4EALDH1A1POLB
SCHEMBL990190 0.80 GRM5 (1.00) GRM5HPGDKDM4EALDH1A1POLB
SCHEMBL3633068 0.79 HPGD (0.71) HPGDALDH1A1MKNK1MKNK2
SCHEMBL989441 0.79 GRM5 (0.76) GRM5PRKAA2HPGDKDM4EALDH1A1
SCHEMBL990818 0.78 GRM5 (0.74) GRM5PRKAA2HPGDKDM4EALDH1A1

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-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
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 GRM5 1/4885PRKAA2 3446/4885HPGD 2602/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885PRKAA2 3500/4885HPGD 2729/4885
US-20090005363-A1 Organic Compounds NNT, NAPRT, CHRNA5 GRM5 680/4885PRKAA2 3183/4885HPGD 280/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885PRKAA2 3500/4885HPGD 2729/4885

“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.