SCHEMBL951801

SCHEMBL951801

Clc1ccc(CN[C@H]2CCN(c3cncnc3)C2)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.66
GRM3 Q14832 2/20 0.66
PDCD1LG2 Q9BQ51 1/20 0.55
CD274 Q9NZQ7 1/20 0.55
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
BACE1 P56817 1/20 0.52
P2RX7 Q99572 1/20 0.48
F10 P00742 1/20 0.42
EPHX2 P34913 4/20 0.41
SIGMAR1 Q99720 2/20 0.40
RPS6KB1 P23443 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
KDM1A O60341 1/20 0.39
FFAR1 O14842 1/20 0.39
CXCR3 P49682 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ALPL P05186 1/20 0.38

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
SCHEMBL4226044 1.00 GRM2 (0.66) GRM2GRM3PDCD1LG2CD274BCHE
SCHEMBL951398 0.87 GRM2 (0.70) GRM2GRM3PDCD1LG2CD274BCHE
SCHEMBL951396 0.87 GRM2 (0.70) GRM2GRM3PDCD1LG2CD274BCHE
Hydrochloric Acid SCHEMBL4226162 0.85 GRM2 (0.65) GRM2GRM3BCHEACHEBACE1
Hydrochloric Acid SCHEMBL4226157 0.85 GRM2 (0.65) GRM2GRM3BCHEACHEBACE1
SCHEMBL950632 0.85 GRM2 (0.68) GRM2GRM3PDCD1LG2CD274BCHE
SCHEMBL8268029 0.85 GRM2 (0.68) GRM2GRM3PDCD1LG2CD274BCHE
SCHEMBL950920 0.83 GRM2 (0.66) GRM2GRM3PDCD1LG2CD274BCHE
SCHEMBL950918 0.83 GRM2 (0.66) GRM2GRM3PDCD1LG2CD274BCHE
SCHEMBL955657 0.82 GRM2 (0.85) 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 1/4885PDCD1LG2 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.