SCHEMBL3360098

SCHEMBL3360098

CCc1c(C(=O)CBr)cnn1Cc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.46
GSK3B P49841 1/20 0.44
UCHL1 P09936 1/20 0.44
MCHR1 Q99705 1/20 0.43
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
PDE1A P54750 2/20 0.40
PDE1B Q01064 2/20 0.40
PDE1C Q14123 2/20 0.40
PTPN1 P18031 1/20 0.40
PDE2A O00408 1/20 0.39

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
SCHEMBL371091 0.89 NPBWR1 (0.45) NPBWR1GSK3BUCHL1MCHR1NPC1
SCHEMBL2508842 0.87 NPBWR1 (0.44) NPBWR1GSK3BUCHL1MCHR1PTPN1
SCHEMBL3356508 0.86 NPBWR1 (0.49) NPBWR1UCHL1MCHR1NPC1LMNA
SCHEMBL3357317 0.86 NPBWR1 (0.49) NPBWR1UCHL1MCHR1NPC1LMNA
SCHEMBL21333143 0.85 ALDH1A1 (0.48) NPC1LMNA
SCHEMBL3358788 0.83 NPC1 (0.58) NPBWR1UCHL1MCHR1NPC1LMNA
SCHEMBL3358730 0.81 NPBWR1 (0.48) NPBWR1GSK3BUCHL1MCHR1NPC1
SCHEMBL28788394 0.79 NPBWR1 (0.44) NPBWR1UCHL1MCHR1LMNAPDE1A
SCHEMBL3360069 0.77 ALDH1A1 (0.48) NPBWR1UCHL1MCHR1NPC1LMNA
SCHEMBL369444 0.75 NPBWR1 (0.48) NPBWR1UCHL1MCHR1NPC1PTPN1

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-8524718-B2 Heteroaromatic derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE (CH) 2012-12-27 US disclosed
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-10 US disclosed
EP-2181110-A2 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2010-05-05 EP disclosed
WO-2009010455-A2 PYRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2009-01-22 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 (2 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-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM4, GRM2 NPBWR1 608/4885GSK3B 1639/4885UCHL1 3556/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 NPBWR1 684/4885GSK3B 1530/4885UCHL1 3651/4885

“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.