SCHEMBL990134

SCHEMBL990134

O=C(c1ccc(Nc2ccc(Br)cc2)nc1)N1CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.77
HPGD P15428 3/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
POLB P06746 1/20 0.58
HSD17B10 Q99714 1/20 0.58
RAB9A P51151 2/20 0.50
PRKAA2 P54646 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL990839 0.87 GRM5 (1.00) GRM5HPGDKDM4EALDH1A1POLB
SCHEMBL990914 0.84 GRM5 (0.72) GRM5HPGDKDM4EALDH1A1POLB
SCHEMBL990190 0.82 GRM5 (1.00) GRM5HPGDKDM4EALDH1A1POLB
SCHEMBL990918 0.82 GRM5 (1.00) GRM5HPGDKDM4EALDH1A1POLB
SCHEMBL991635 0.82 GRM5 (1.00) GRM5HPGDKDM4EALDH1A1POLB
SCHEMBL989441 0.81 GRM5 (0.76) GRM5HPGDKDM4EALDH1A1POLB
SCHEMBL990818 0.81 GRM5 (0.74) GRM5HPGDKDM4EALDH1A1POLB
SCHEMBL992093 0.80 GRM5 (0.77) GRM5HPGDKDM4EALDH1A1POLB
SCHEMBL990874 0.79 GRM5 (1.00) GRM5HPGDKDM4EALDH1A1POLB
SCHEMBL990221 0.79 GRM5 (0.71) GRM5HPGDKDM4EALDH1A1POLB

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 1/4885HPGD 2602/4885KDM4E 1396/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885HPGD 2729/4885KDM4E 1443/4885
US-20090005363-A1 Organic Compounds NNT, NAPRT, CHRNA5 GRM5 680/4885HPGD 280/4885KDM4E 2811/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885HPGD 2729/4885KDM4E 1443/4885

“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.