SCHEMBL2533682

SCHEMBL2533682

O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.71
RAB9A P51151 4/20 0.71
TLR7 Q9NYK1 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
SMN1; SMN2 Q16637 5/20 0.68
PKM P14618 2/20 0.68
MAPT P10636 1/20 0.68
HTT P42858 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MITF O75030 1/20 0.64
ABL1 P00519 2/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
TRPV1 Q8NER1 2/20 0.60
TP53 P04637 1/20 0.59
EPHX2 P34913 1/20 0.58
GRM4 Q14833 3/20 0.56
TSHR P16473 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
SCHEMBL30904871 1.00 NPC1 (0.71) NPC1RAB9ATLR7L3MBTL1SMN1; SMN2
SCHEMBL17448399 0.85 SMN1; SMN2 (0.71) NPC1RAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL2532524 0.85 GRM4 (0.74) NPC1RAB9ATLR7SMN1; SMN2MAPT
SCHEMBL24824700 0.83 RAB9A (1.00) NPC1RAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL1499586 0.81 MAPT (0.61) NPC1RAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL3092361 0.81 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL28172197 0.81 TLR7 (0.71) NPC1RAB9ATLR7SMN1; SMN2PKM
SCHEMBL365595 0.80 NPC1 (0.68) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL14700783 0.80 GRM4 (0.76) TLR7GRM4
SCHEMBL15391396 0.80 ABL1 (0.64) NPC1RAB9AL3MBTL1SMN1; SMN2MAPT

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 NPC1 2148/4885RAB9A 1653/4885TLR7 271/4885
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 NPC1 2148/4885RAB9A 1653/4885TLR7 271/4885
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM4, GRM1, GRM3 NPC1 2148/4885RAB9A 1653/4885TLR7 271/4885
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 NPC1 2148/4885RAB9A 1653/4885TLR7 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.