SCHEMBL2534147

SCHEMBL2534147

COc1cc(NC(=O)c2ccccn2)ccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 15/20 1.00
SMN1; SMN2 Q16637 3/20 0.78
NPC1 O15118 2/20 0.78
RAB9A P51151 2/20 0.78
KDM4E B2RXH2 1/20 0.78
HDAC6 Q9UBN7 1/20 0.74
MAPT P10636 1/20 0.63
PKM P14618 1/20 0.63
AURKB Q96GD4 1/20 0.61

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
SCHEMBL15929735 0.85 GRM4 (1.00) GRM4SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL29412182 0.85 GRM4 (1.00) GRM4SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL23705777 0.85 GRM4 (1.00) GRM4SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL16592555 0.84 SMN1; SMN2 (0.78) GRM4SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL29217375 0.83 GRM4 (0.72) GRM4SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2529053 0.83 GRM4 (1.00) GRM4SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2526310 0.82 SMN1; SMN2 (0.83) GRM4SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL16592632 0.82 GRM4 (0.75) GRM4SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1657250 0.81 GRM4 (0.67) GRM4SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL16603071 0.79 SMN1; SMN2 (0.70) GRM4SMN1; SMN2NPC1RAB9AKDM4E

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 1/4885SMN1; SMN2 1604/4885NPC1 2148/4885
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 GRM4 1/4885SMN1; SMN2 1604/4885NPC1 2148/4885
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM4, GRM1, GRM3 GRM4 1/4885SMN1; SMN2 1604/4885NPC1 2148/4885
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 GRM4 1/4885SMN1; SMN2 1604/4885NPC1 2148/4885

“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.