SCHEMBL955657

SCHEMBL955657

Clc1cnc(N2CC[C@H](NCc3ccc(Cl)cc3Cl)C2)nc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.85
GRM3 Q14832 2/20 0.85
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
BACE1 P56817 1/20 0.53
P2RX7 Q99572 2/20 0.47
EPHX2 P34913 4/20 0.43
KDM1A O60341 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
CXCR3 P49682 1/20 0.39
CYP2A13 Q16696 1/20 0.39
CCR4 P51679 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ADAMTS4 O75173 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL953673 1.00 GRM2 (0.85) GRM2GRM3BCHEACHEBACE1
SCHEMBL950586 0.92 GRM2 (1.00) GRM2GRM3BCHEACHEBACE1
SCHEMBL950584 0.92 GRM2 (1.00) GRM2GRM3BCHEACHEBACE1
SCHEMBL4219784 0.92 GRM2 (0.80) GRM2GRM3BCHEACHEBACE1
SCHEMBL952354 0.92 GRM2 (0.80) GRM2GRM3BCHEACHEBACE1
SCHEMBL4219788 0.92 GRM2 (0.80) GRM2GRM3BCHEACHEBACE1
SCHEMBL952352 0.92 GRM2 (0.80) GRM2GRM3BCHEACHEBACE1
Hydrochloric Acid SCHEMBL952981 0.91 GRM2 (0.98) GRM2GRM3BCHEACHEBACE1
Hydrochloric Acid SCHEMBL952984 0.91 GRM2 (0.98) GRM2GRM3BCHEACHEBACE1
SCHEMBL4223928 0.90 GRM2 (0.77) 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 3 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

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.