SCHEMBL950864

SCHEMBL950864

FC(F)(F)c1ccc(CN[C@H]2CCN(c3ncc(Br)cn3)C2)c(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.76
GRM3 Q14832 2/20 0.76
HMOX1 P09601 1/20 0.45
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
BACE1 P56817 3/20 0.39
SCD O00767 2/20 0.38
SUV39H2 Q9H5I1 2/20 0.38
P2RX7 Q99572 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL950865 1.00 GRM2 (0.76) GRM2GRM3HMOX1HDAC1HDAC8
Hydrochloric Acid SCHEMBL4218112 0.91 GRM2 (0.66) GRM2GRM3HMOX1HDAC1HDAC8
Hydrochloric Acid SCHEMBL4218107 0.91 GRM2 (0.66) GRM2GRM3HMOX1HDAC1HDAC8
Hydrochloric Acid SCHEMBL4228700 0.88 GRM2 (0.61) GRM2GRM3HMOX1HDAC1HDAC8
Hydrochloric Acid SCHEMBL4228703 0.88 GRM2 (0.61) GRM2GRM3HMOX1HDAC1HDAC8
Hydrochloric Acid SCHEMBL951132 0.87 GRM2 (0.63) GRM2GRM3HMOX1HDAC1HDAC8
Hydrochloric Acid SCHEMBL951134 0.87 GRM2 (0.63) GRM2GRM3HMOX1HDAC1HDAC8
SCHEMBL950586 0.86 GRM2 (1.00) GRM2GRM3BCHEACHEBACE1
SCHEMBL950584 0.86 GRM2 (1.00) GRM2GRM3BCHEACHEBACE1
Hydrochloric Acid SCHEMBL4218077 0.86 GRM2 (0.61) GRM2GRM3HMOX1HDAC1HDAC8

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 8 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
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
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
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
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
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 GRM2 5/4885GRM3 1/4885HMOX1 1591/4885

“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.