SCHEMBL3617841

SCHEMBL3617841

CN1C2CCC1CC(n1cnc3c(cnn3-c3ccccc3)c1=O)C2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
LMNA P02545 6/20 0.53
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 3/20 0.53
GRM1 Q13255 1/20 0.48
TSHR P16473 5/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.45
DPP4 P27487 1/20 0.44

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
SCHEMBL3613073 0.86 RAB9A (0.53) RAB9ALMNAHPGDSMN1; SMN2KDM4E
SCHEMBL3603582 0.84 GRM1 (0.59) RAB9ALMNAHPGDSMN1; SMN2KDM4E
SCHEMBL3610908 0.83 GRM1 (0.61) RAB9ALMNAHPGDSMN1; SMN2KDM4E
SCHEMBL13316474 0.80 RAB9A (0.47) RAB9ALMNAHPGDSMN1; SMN2KDM4E
SCHEMBL3615459 0.77 RAB9A (0.53) RAB9ALMNAHPGDSMN1; SMN2KDM4E
SCHEMBL13316476 0.77 RAB9A (0.53) RAB9ALMNAHPGDSMN1; SMN2KDM4E
SCHEMBL8162771 0.75 RAB9A (0.48) RAB9ALMNAHPGDSMN1; SMN2KDM4E
SCHEMBL8155383 0.74 RAB9A (0.48) RAB9ALMNAHPGDSMN1; SMN2KDM4E
SCHEMBL3612233 0.74 TP53 (0.55) LMNAHPGDSMN1; SMN2KDM4EGRM1
SCHEMBL3608846 0.73 TP53 (0.56) RAB9ALMNAHPGDSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137340-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS GLATTHAR RALF 2010-06-03 US disclosed
US-20100137340-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS GLATTHAR RALF 2010-06-03 US disclosed
US-20100137340-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS GLATTHAR RALF 2010-06-03 US disclosed
EP-2132210-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS Novartis AG (CH) 2009-12-16 EP disclosed
WO-2008107418-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS NOVARTIS AG (CH) 2008-09-12 WO disclosed
WO-2008107418-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS NOVARTIS AG (CH) 2008-09-12 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 (1 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-20100137340-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS GRM1, GRM2, GRM3 RAB9A 1068/4885LMNA 4440/4885HPGD 1352/4885

“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.