SCHEMBL953511

SCHEMBL953511

COc1nc(N2CCC(NCc3ccc(Cl)cc3Cl)C2)ncc1F

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.65
GRM3 Q14832 2/20 0.65
PDCD1LG2 Q9BQ51 3/20 0.45
CD274 Q9NZQ7 3/20 0.45
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
P2RX7 Q99572 3/20 0.40
CHRM4 P08173 1/20 0.40
CXCR3 P49682 1/20 0.39
CCR4 P51679 1/20 0.39
ADAMTS4 O75173 1/20 0.38
BCL6 P41182 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
SUV39H2 Q9H5I1 3/20 0.38
EPHX2 P34913 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
SCHEMBL4223630 1.00 GRM2 (0.65) GRM2GRM3PDCD1LG2CD274BCHE
SCHEMBL954726 0.88 GRM2 (0.68) GRM2GRM3BCHEACHEBACE1
SCHEMBL954728 0.88 GRM2 (0.68) GRM2GRM3BCHEACHEBACE1
SCHEMBL950893 0.88 GRM2 (0.71) GRM2GRM3BCHEACHEBACE1
SCHEMBL950892 0.88 GRM2 (0.71) GRM2GRM3BCHEACHEBACE1
SCHEMBL4219788 0.83 GRM2 (0.80) GRM2GRM3BCHEACHEBACE1
SCHEMBL4219784 0.83 GRM2 (0.80) GRM2GRM3BCHEACHEBACE1
SCHEMBL953673 0.82 GRM2 (0.85) GRM2GRM3BCHEACHEBACE1
SCHEMBL955657 0.82 GRM2 (0.85) GRM2GRM3BCHEACHEBACE1
SCHEMBL952373 0.82 GRM2 (0.71) GRM2GRM3PDCD1LG2CD274BCHE

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 2 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-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 1/4885PDCD1LG2 1522/4885

“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.