SCHEMBL991523

SCHEMBL991523

COc1cc(C(=O)N2CCCCC2)cnc1Nc1ccc(C)nc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.76
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL991547 1.00 GRM5 (0.76) GRM5NPC1MAPTRAB9AHPGD
SCHEMBL990217 0.90 GRM5 (0.71) GRM5HPGD
SCHEMBL990274 0.90 GRM5 (0.71) GRM5HPGD
SCHEMBL991034 0.88 GRM5 (0.81) GRM5HPGD
SCHEMBL991073 0.86 GRM5 (1.00) GRM5
SCHEMBL990783 0.86 GRM5 (1.00) GRM5
SCHEMBL3415829 0.85 GRM5 (0.77) GRM5HPGD
SCHEMBL992205 0.85 GRM5 (0.77) GRM5HPGD
SCHEMBL990813 0.85 GRM5 (1.00) GRM5HPGD
SCHEMBL990910 0.85 GRM5 (1.00) 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 5 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-20090005363-A1 Organic Compounds NOVARTIS AG (CH) 2009-01-01 US 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 (3 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-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885NPC1 1500/4885MAPT 548/4885
US-20090005363-A1 Organic Compounds NNT, NAPRT, CHRNA5 GRM5 680/4885NPC1 437/4885MAPT 884/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885NPC1 1500/4885MAPT 548/4885

“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.