SCHEMBL951812

SCHEMBL951812

Clc1ccc(CN[C@H]2CCN(c3ccc(Br)cn3)C2)c(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.77
GRM3 Q14832 2/20 0.77
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
ALDH1A1 P00352 1/20 0.45
HMOX1 P09601 1/20 0.43
EPHX2 P34913 3/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
DPP4 P27487 1/20 0.38
PDE10A Q9Y233 1/20 0.37
CCR4 P51679 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL951814 1.00 GRM2 (0.77) GRM2GRM3BCHEACHEBACE1
Hydrochloric Acid SCHEMBL4219540 0.99 GRM2 (0.76) GRM2GRM3BCHEACHEBACE1
Hydrochloric Acid SCHEMBL4219537 0.99 GRM2 (0.76) GRM2GRM3BCHEACHEBACE1
Hydrochloric Acid SCHEMBL4223241 0.90 GRM2 (0.68) GRM2GRM3BCHEACHEBACE1
Hydrochloric Acid SCHEMBL4223247 0.90 GRM2 (0.68) GRM2GRM3BCHEACHEBACE1
Hydrochloric Acid SCHEMBL4223571 0.89 GRM2 (0.61) GRM2GRM3BCHEACHEBACE1
Hydrochloric Acid SCHEMBL4223581 0.89 GRM2 (0.61) GRM2GRM3BCHEACHEBACE1
SCHEMBL8267459 0.88 GRM2 (0.66) GRM2GRM3BCHEACHEBACE1
SCHEMBL12946109 0.87 GRM2 (0.64) GRM2GRM3BCHEACHEBACE1
SCHEMBL950586 0.87 GRM2 (1.00) 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 12 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
EP-1155353-B1 MATERIALS FOR INDUCING ALIGNMENT OF LIQUID CRYSTALS AND LIQUID CRYSTAL OPTICAL ELEMENTS ELSICON INC (US) 2006-10-04 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
EP-1155353-A4 MATERIALS FOR INDUCING ALIGNMENT OF LIQUID CRYSTALS AND LIQUID CRYSTAL OPTICAL ELEMENTS ELSICON INC (US) 2003-04-23 EP disclosed
EP-1222237-A4 MATERIALS FOR INDUCING ALIGNMENT IN LIQUID CRYSTALS AND LIQUID CRYSTAL DISPLAYS ELSICON INC (US) 2003-01-15 EP disclosed
EP-1222237-A1 MATERIALS FOR INDUCING ALIGNMENT IN LIQUID CRYSTALS AND LIQUID CRYSTAL DISPLAYS Elsicon, Inc. (US) 2002-07-17 EP disclosed
EP-1155353-A1 MATERIALS FOR INDUCING ALIGNMENT OF LIQUID CRYSTALS AND LIQUID CRYSTAL OPTICAL ELEMENTS Elsicon Inc. (US) 2001-11-21 EP disclosed
WO-2001030938-A1 MATERIALS FOR INDUCING ALIGNMENT IN LIQUID CRYSTALS AND LIQUID CRYSTAL DISPLAYS ELSICON, INC. (US) 2001-05-03 WO disclosed
WO-2000039633-A1 MATERIALS FOR INDUCING ALIGNMENT OF LIQUID CRYSTALS AND LIQUID CRYSTAL OPTICAL ELEMENTS ELSICON, INC. (US) 2000-07-06 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 GRM2 5/4885GRM3 1/4885BCHE 3487/4885

“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.