SCHEMBL951933

SCHEMBL951933

CC(C)(C)OC(=O)N1CCC(NCc2ccc(Cl)cc2Cl)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
MAPK8 P45983 3/20 0.51
GRM2 Q14416 2/20 0.49
GRM3 Q14832 2/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
EPHX2 P34913 7/20 0.48
ANO1 Q5XXA6 2/20 0.47
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
SCN9A Q15858 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2J2 P51589 1/20 0.45

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
SCHEMBL951932 1.00 ALDH1A1 (0.57) ALDH1A1MAPK8GRM2GRM3BCHE
SCHEMBL4205757 0.94 ALDH1A1 (0.59) ALDH1A1MAPK8BCHEACHEBACE1
SCHEMBL27661575 0.90 OPRL1 (0.52) ALDH1A1SCN9A
SCHEMBL653533 0.86 ALDH1A1 (0.48) ALDH1A1MAPK8EPHX2ANO1SCN9A
SCHEMBL30933805 0.85 AHCY (0.48) ALDH1A1MAPK8ANO1SCN9A
SCHEMBL652820 0.84 HTT (0.53) ALDH1A1MAPK8BCHEACHEBACE1
SCHEMBL651891 0.84 HTT (0.53) ALDH1A1MAPK8BCHEACHEBACE1
SCHEMBL4329719 0.84 ALDH1A1 (0.56) ALDH1A1MAPK8EPHX2CNR1CYP2C9
SCHEMBL31282805 0.84 MAPK8 (0.49) ALDH1A1MAPK8EPHX2ANO1CNR1
SCHEMBL4477584 0.83 BCHE (0.58) GRM2GRM3BCHEACHEBACE1

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-7868014-B2 1-(hetero)aryl-3-amino-pyrrolidine derivatives for use as mGluR3 antagonists ELI LILLY AND COMPANY (US) 2011-01-11 US disclosed
EP-1805165-B1 1-(HETERO)ARYL-3-AMINO-PYRROLIDINE DERIVATIVES FOR USE AS MGLUR3 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-12-16 EP disclosed
US-20080300266-A1 1-(Hetero)Aryl-3-Amino-Pyrrolidine Derivatives for Use as Mglur3 Antagonists ELI LILLY AND COMPANY (US) 2008-12-04 US disclosed
EP-1805165-A1 1-(HETERO)ARYL-3-AMINO-PYROLLIDINE DERIVATIVES FOR USE AS MGLUR3 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-07-11 EP disclosed
WO-2006044454-A1 1-(HETERO)ARYL-3-AMINO-PYROLLIDINE DERIVATIVES FOR USE AS MGLUR3 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-04-27 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 (1 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-20080300266-A1 1-(Hetero)Aryl-3-Amino-Pyrrolidine Derivatives for Use as Mglur3 Antagonists GRM3, GRM1, GRIA3 ALDH1A1 3907/4885MAPK8 3678/4885GRM2 5/4885

“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.