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SCHEMBL3132075

SCHEMBL3132075

O=C(c1ccc(F)c(F)c1)N1CCC[C@H](c2nc(Cc3ccc(F)cc3)no2)C1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.61
▸ CLPP Q16740 1/20 0.61
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ ATM Q13315 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ RAB9A P51151 1/20 0.51
▸ TSHR P16473 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ HSD11B1 P28845 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL3132085 1.00 GRM5 (0.61) GRM5CLPPMEN1KMT2AL3MBTL1
SCHEMBL3131707 0.92 GRM5 (0.70) GRM5CLPPMEN1KMT2AL3MBTL1
SCHEMBL3131703 0.92 GRM5 (0.70) GRM5CLPPMEN1KMT2AL3MBTL1
SCHEMBL192775 0.85 GRM5 (0.84) GRM5CLPPMEN1KMT2AL3MBTL1
SCHEMBL192774 0.85 GRM5 (0.84) GRM5CLPPMEN1KMT2AL3MBTL1
SCHEMBL3141564 0.83 GRM5 (0.51) GRM5CLPPMEN1KMT2AL3MBTL1
SCHEMBL3141572 0.83 GRM5 (0.51) GRM5CLPPMEN1KMT2AL3MBTL1
SCHEMBL4138208 0.81 GRM5 (0.66) GRM5CLPPMEN1KMT2AL3MBTL1
SCHEMBL4138202 0.81 GRM5 (0.66) GRM5CLPPMEN1KMT2AL3MBTL1
SCHEMBL192938 0.79 GRM5 (0.78) GRM5CLPPMEN1KMT2AL3MBTL1

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-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
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 4732/4885MEN1 4669/4885

“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.