SCHEMBL3356514

SCHEMBL3356514

CCOC(=O)c1cn(Cc2ccc(OC)cc2)nc1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
ALDH1A1 P00352 5/20 0.45
LMNA P02545 1/20 0.45
PDE4D Q08499 1/20 0.44
UCHL1 P09936 1/20 0.44
AGTR1 P30556 2/20 0.44
GAA P10253 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 2/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL3354410 0.91 MAPT (0.44) MAPTALDH1A1LMNAPDE4DUCHL1
SCHEMBL2509798 0.89 MAPT (0.43) MAPTALDH1A1LMNAPDE4DUCHL1
SCHEMBL1052418 0.88 PDE4D (0.49) MAPTALDH1A1LMNAPDE4DUCHL1
SCHEMBL18795082 0.88 LMNA (0.45) MAPTALDH1A1LMNAAGTR1KDM4E
SCHEMBL3359322 0.87 KMT2A (0.46) KMT2AMEN1L3MBTL1
SCHEMBL25191628 0.86 MAPT (0.47) MAPTALDH1A1LMNAPDE4DUCHL1
SCHEMBL369424 0.86 UCHL1 (0.47) MAPTALDH1A1LMNAPDE4DUCHL1
SCHEMBL2507978 0.86 MAPT (0.47) MAPTALDH1A1LMNAPDE4DUCHL1
SCHEMBL370507 0.86 KMT2A (0.53) USP2KMT2AMEN1L3MBTL1TP53
SCHEMBL369164 0.85 ALDH1A1 (0.48) MAPTALDH1A1LMNAPDE4DUCHL1

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 MAPT 1440/4885ALDH1A1 3866/4885LMNA 4777/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 MAPT 1498/4885ALDH1A1 3998/4885LMNA 4754/4885

“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.