SCHEMBL950845

SCHEMBL950845

NC1CCN(c2ncc(Br)cn2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.43
GRM3 Q14832 2/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
HRH4 Q9H3N8 7/20 0.41
DYRK1A Q13627 2/20 0.40
AKT1 P31749 3/20 0.38
ROCK2 O75116 3/20 0.38
HTR3A P46098 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PTPN11 Q06124 1/20 0.36
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 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
SCHEMBL950844 1.00 GRM2 (0.43) GRM2GRM3MKNK1MKNK2HRH4
Hydrochloric Acid SCHEMBL951808 0.98 GRM2 (0.42) GRM2GRM3MKNK1MKNK2HRH4
Hydrochloric Acid SCHEMBL955771 0.98 GRM2 (0.42) GRM2GRM3MKNK1MKNK2HRH4
SCHEMBL1027517 0.90 CAMK1D (0.43) HRH4AKT1
SCHEMBL1027516 0.90 CAMK1D (0.43) HRH4AKT1
SCHEMBL20474631 0.85 KDM4E (0.39) GRM2GRM3HRH4HRH3
SCHEMBL25195654 0.84 GRM2 (0.44) GRM2GRM3DYRK1A
SCHEMBL24894887 0.84 GRM2 (0.44) GRM2GRM3DYRK1A
SCHEMBL29197107 0.84 GRM2 (0.44) GRM2GRM3DYRK1A
SCHEMBL16872993 0.82 MKNK1 (0.43) MKNK1MKNK2HRH4DYRK1A

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 1/4885MKNK1 2801/4885

“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.