SCHEMBL953539

SCHEMBL953539

FC(F)(F)c1cc(Cl)ccc1CN[C@H]1CCN(c2ncc(Br)cn2)C1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.76
GRM3 Q14832 2/20 0.76
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HMOX1 P09601 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
CXCR3 P49682 3/20 0.39
GPR183 P32249 1/20 0.37
P2RX7 Q99572 3/20 0.36
DDR1 Q08345 6/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
ADAMTS4 O75173 1/20 0.35

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
SCHEMBL953540 1.00 GRM2 (0.76) GRM2GRM3HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL4360440 0.91 GRM2 (0.71) GRM2GRM3HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL4360445 0.91 GRM2 (0.71) GRM2GRM3HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL4228703 0.88 GRM2 (0.61) GRM2GRM3HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL953461 0.88 GRM2 (0.61) GRM2GRM3HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL4228700 0.88 GRM2 (0.61) GRM2GRM3HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL953462 0.88 GRM2 (0.61) GRM2GRM3HDAC1HDAC8HDAC6
SCHEMBL950586 0.86 GRM2 (1.00) GRM2GRM3BCHEACHEBACE1
SCHEMBL950584 0.86 GRM2 (1.00) GRM2GRM3BCHEACHEBACE1
Hydrochloric Acid SCHEMBL952984 0.85 GRM2 (0.98) 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 6 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
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

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 1/4885HDAC1 800/4885

“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.