SCHEMBL3597541

SCHEMBL3597541

O=c1c2cnn(-c3ccccc3Cl)c2ncn1C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.55
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.45
GRM1 Q13255 1/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 2/20 0.43
FSCN1 Q16658 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACVR1 Q04771 1/20 0.41
HTT P42858 1/20 0.41
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3612254 0.86 FSCN1 (0.50) CNR1ALDH1A1KMT2ANPSR1GRM1
SCHEMBL3610908 0.83 GRM1 (0.61) ALDH1A1SMN1; SMN2KMT2ALMNAGRM1
SCHEMBL3603582 0.82 GRM1 (0.59) SMN1; SMN2KMT2AMEN1LMNAGRM1
SCHEMBL3615611 0.81 HTT (0.59) CNR1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3616123 0.81 TP53 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL3614043 0.81 DPP4 (0.47) CNR1ALDH1A1SMN1; SMN2KMT2ANPSR1
SCHEMBL3612171 0.78 GRM1 (0.48) ALDH1A1SMN1; SMN2KMT2AGAANPSR1
SCHEMBL3602072 0.77 POLB (0.50) ALDH1A1SMN1; SMN2NPSR1LMNAGRM1
SCHEMBL3612233 0.77 TP53 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL3608846 0.76 TP53 (0.56) ALDH1A1SMN1; SMN2NPSR1LMNAGRM1

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-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

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 CNR1 28/4885ALDH1A1 2256/4885SMN1; SMN2 1132/4885

“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.