SCHEMBL990880

SCHEMBL990880

CCOC(=O)c1cnc(O)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
ESR1 P03372 3/20 0.49
ESR2 Q92731 1/20 0.49
MAOB P27338 2/20 0.44
HSD17B2 P37059 1/20 0.44
CYP3A4 P08684 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 2/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
LMNA P02545 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL26412819 0.84 CYP2C9 (0.56) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL1092159 0.83 CYP2C19 (0.51) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL12845745 0.83 CYP2C19 (0.51) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL1232110 0.83 CYP2C19 (0.51) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL8277873 0.83 CYP2C9 (0.51) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL15351111 0.83 CYP2C19 (0.54) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL31681411 0.82 ATM (0.53) CA12CA1CA2CA7CA9
SCHEMBL990850 0.81 CYP2C9 (0.53) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL15350275 0.80 CYP2C9 (0.51) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL3954184 0.80 P2RY12 (0.49) CYP2C19CYP2C9CA12CA1CA2

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 CYP2C19 4591/4885CYP2C9 4642/4885CA12 4227/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 CYP2C19 4502/4885CYP2C9 4593/4885CA12 4224/4885
US-20090005363-A1 Organic Compounds NNT, NAPRT, CHRNA5 CYP2C19 124/4885CYP2C9 93/4885CA12 1892/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 CYP2C19 4502/4885CYP2C9 4593/4885CA12 4224/4885

“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.