SCHEMBL2532524

SCHEMBL2532524

O=C(Nc1cccc(OC(F)(F)F)c1)c1ccccn1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 8/20 0.74
▸ HDAC6 Q9UBN7 1/20 0.60
▸ TLR7 Q9NYK1 1/20 0.60
▸ P2RX1 P51575 1/20 0.59
▸ KDR P35968 4/20 0.59
▸ KCNK3 O14649 1/20 0.59
▸ KCNK9 Q9NPC2 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL17448384 0.88 P2RX1 (0.63) GRM4P2RX1ALDH1A1GAAMAPT
SCHEMBL2533682 0.85 NPC1 (0.71) GRM4TLR7MAPTTSHRHTT
SCHEMBL30904871 0.85 NPC1 (0.71) GRM4TLR7MAPTTSHRHTT
SCHEMBL2527996 0.82 GRM4 (1.00) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL7990375 0.81 KDR (0.84) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL5498009 0.81 RAB9A (0.71) P2RX1KCNK3KCNK9ALDH1A1GAA
SCHEMBL3874650 0.80 TRPV1 (0.65) GRM4P2RX1ALDH1A1GAAMAPT
SCHEMBL30360592 0.80 KMT2A (0.71) GRM4HDAC6TLR7P2RX1KDR
SCHEMBL28290705 0.80 KMT2A (0.71) GRM4HDAC6TLR7P2RX1KDR
SCHEMBL14965562 0.79 ALDH1A1 (0.58) GRM4P2RX1KDRALDH1A1GAA

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
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE 2011-10-20 — — US claimed
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-03 — — US claimed
US-8524726-B2 Amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 — — US disclosed
US-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-30 — — US disclosed
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-23 — — US disclosed
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE 2011-10-20 — — US disclosed
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-03 — — US 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 (4 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-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 GRM4 1/4885HDAC6 2600/4885TLR7 271/4885
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 GRM4 1/4885HDAC6 2600/4885TLR7 271/4885
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM4, GRM1, GRM3 GRM4 1/4885HDAC6 2600/4885TLR7 271/4885
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 GRM4 1/4885HDAC6 2600/4885TLR7 271/4885

“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.

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