SCHEMBL3356340

SCHEMBL3356340

Cc1nn(C(=O)OC(C)(C)C)cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GPR119 Q8TDV5 9/20 0.36
CTSK P43235 1/20 0.35
RET P07949 3/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
AR P10275 2/20 0.33

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
SCHEMBL20595463 0.84 CTSK (0.34) ALDH1A1GLAGPR119CTSKRET
SCHEMBL6323000 0.79 GPR119 (0.32) ALDH1A1GLAGPR119CTSKRET
SCHEMBL13070808 0.79 BCHE (0.35) GPR119HTTATM
SCHEMBL3357162 0.77 NPSR1 (0.36) ALDH1A1
SCHEMBL1559237 0.76 ROCK2 (0.34) GPR119HTTATM
SCHEMBL481939 0.76 ROCK2 (0.34) GPR119HTTATM
SCHEMBL6323004 0.76 GPR119 (0.33) GPR119
SCHEMBL20642480 0.76 BCHE (0.35) GPR119CTSKHTTATM
SCHEMBL13583956 0.75 GPR119 (0.36) GPR119RETAR
SCHEMBL23751758 0.75 HTT (0.37) GPR119HTTATM

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 3866/4885GLA 4599/4885GPR119 53/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 ALDH1A1 3998/4885GLA 4489/4885GPR119 56/4885

“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.