SCHEMBL3137969

SCHEMBL3137969

O=C(c1ccc(F)cc1)N1CCC[C@H](c2noc(CCc3ccccc3)n2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.55
CLPP Q16740 1/20 0.55
ATM Q13315 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
HSD11B1 P28845 4/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
LDHA P00338 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL3137973 1.00 GRM5 (0.55) GRM5CLPPATML3MBTL1NPC1
SCHEMBL3141641 0.91 GRM5 (0.56) GRM5CLPPATML3MBTL1NPC1
SCHEMBL3141649 0.91 GRM5 (0.56) GRM5CLPPATML3MBTL1NPC1
SCHEMBL3133574 0.86 GRM5 (0.59) GRM5CLPPATML3MBTL1NPC1
SCHEMBL3133581 0.86 GRM5 (0.59) GRM5CLPPATML3MBTL1NPC1
SCHEMBL4235370 0.82 HSD11B1 (0.65) GRM5CLPPATML3MBTL1NPC1
SCHEMBL3133940 0.81 GRM5 (0.58) GRM5CLPPATML3MBTL1NPC1
SCHEMBL3133951 0.81 GRM5 (0.58) GRM5CLPPATML3MBTL1NPC1
SCHEMBL3140787 0.80 GRM5 (0.57) GRM5CLPPATML3MBTL1NPC1
SCHEMBL3140808 0.80 GRM5 (0.57) GRM5CLPPATML3MBTL1NPC1

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-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 4732/4885ATM 4195/4885

“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.