SCHEMBL3133940

SCHEMBL3133940

O=C(c1ccccc1)c1nc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)no1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.58
CLPP Q16740 1/20 0.58
HSD11B1 P28845 3/20 0.54
ATM Q13315 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL3133951 1.00 GRM5 (0.58) GRM5CLPPHSD11B1ATML3MBTL1
SCHEMBL4235370 0.84 HSD11B1 (0.65) GRM5CLPPHSD11B1ATML3MBTL1
SCHEMBL3140787 0.83 GRM5 (0.57) GRM5CLPPHSD11B1ATML3MBTL1
SCHEMBL3140808 0.83 GRM5 (0.57) GRM5CLPPHSD11B1ATML3MBTL1
SCHEMBL3141641 0.82 GRM5 (0.56) GRM5CLPPHSD11B1ATML3MBTL1
SCHEMBL3127437 0.82 GRM5 (0.56) GRM5CLPPHSD11B1ATML3MBTL1
SCHEMBL3127414 0.82 GRM5 (0.56) GRM5CLPPHSD11B1ATML3MBTL1
SCHEMBL3141649 0.82 GRM5 (0.56) GRM5CLPPHSD11B1ATML3MBTL1
SCHEMBL3127426 0.82 GRM5 (0.56) GRM5CLPPHSD11B1ATML3MBTL1
SCHEMBL3131747 0.82 GRM5 (0.56) GRM5CLPPHSD11B1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896464-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-12 EP claimed
WO-2006129199-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-12-07 WO claimed
US-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
US-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
US-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
EP-1896464-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-12 EP disclosed
WO-2006129199-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-12-07 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-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM1, GRIK5 GRM5 1/4885CLPP 4732/4885HSD11B1 3344/4885

“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.