SCHEMBL950507

SCHEMBL950507

Clc1cc(Cl)c(CNC2CCN(c3ncc(Br)cn3)C2)cc1Cl

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.78
GRM3 Q14832 2/20 0.78
OPRK1 P41145 6/20 0.37
RPS6KB1 P23443 1/20 0.36
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
BACE1 P56817 2/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PDCD1LG2 Q9BQ51 3/20 0.34
CD274 Q9NZQ7 3/20 0.34
HMOX1 P09601 1/20 0.34
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CHRM4 P08173 1/20 0.32
SUV39H2 Q9H5I1 1/20 0.32
SMO Q99835 1/20 0.32

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
SCHEMBL950505 1.00 GRM2 (0.78) GRM2GRM3OPRK1RPS6KB1BCHE
SCHEMBL950584 0.87 GRM2 (1.00) GRM2GRM3BCHEACHEBACE1
SCHEMBL950586 0.87 GRM2 (1.00) GRM2GRM3BCHEACHEBACE1
Hydrochloric Acid SCHEMBL955066 0.86 GRM2 (0.82) GRM2GRM3OPRK1RPS6KB1BCHE
Hydrochloric Acid SCHEMBL955068 0.86 GRM2 (0.82) GRM2GRM3OPRK1RPS6KB1BCHE
Hydrochloric Acid SCHEMBL952984 0.86 GRM2 (0.98) GRM2GRM3BCHEACHEBACE1
Hydrochloric Acid SCHEMBL952981 0.86 GRM2 (0.98) GRM2GRM3BCHEACHEBACE1
SCHEMBL950865 0.83 GRM2 (0.76) GRM2GRM3BCHEACHEBACE1
SCHEMBL950864 0.83 GRM2 (0.76) GRM2GRM3BCHEACHEBACE1
Hydrochloric Acid SCHEMBL4218107 0.82 GRM2 (0.66) 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 1/4885OPRK1 82/4885

“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.