SCHEMBL3360069

SCHEMBL3360069

CCCc1c(C(=O)O)cnn1Cc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
NPBWR1 P48145 6/20 0.47
PTPN1 P18031 1/20 0.46
UCHL1 P09936 1/20 0.45
CHRM1 P11229 1/20 0.45
MCHR1 Q99705 1/20 0.44
PPARG P37231 2/20 0.43
MAPK14 Q16539 1/20 0.43
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
PTGER4 P35408 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL3357317 0.90 NPBWR1 (0.49) ALDH1A1NPBWR1PTPN1UCHL1CHRM1
SCHEMBL3354812 0.87 NPC1 (0.56) ALDH1A1MAPTNPBWR1UCHL1MCHR1
SCHEMBL369444 0.86 NPBWR1 (0.48) ALDH1A1NPBWR1PTPN1UCHL1CHRM1
SCHEMBL3354381 0.84 NPBWR1 (0.43) ALDH1A1MAPTNPBWR1UCHL1MCHR1
SCHEMBL2507759 0.84 NPBWR1 (0.46) ALDH1A1NPBWR1PTPN1UCHL1CHRM1
SCHEMBL14809708 0.82 NPBWR1 (0.51) ALDH1A1NPBWR1PTPN1UCHL1CHRM1
SCHEMBL20746001 0.82 NPBWR1 (0.51) ALDH1A1NPBWR1PTPN1UCHL1CHRM1
SCHEMBL29049972 0.81 PTPN1 (0.60) ALDH1A1NPBWR1PTPN1UCHL1CHRM1
SCHEMBL3356508 0.80 NPBWR1 (0.49) NPBWR1UCHL1MCHR1PDE1APDE1B
SCHEMBL2508219 0.79 NPC1 (0.55) ALDH1A1MAPTNPBWR1UCHL1MCHR1

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 ALDH1A1 3866/4885MAPT 1440/4885NPBWR1 608/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 ALDH1A1 3998/4885MAPT 1498/4885NPBWR1 684/4885

“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.