SCHEMBL950614

SCHEMBL950614

Clc1ccc(CNC2CCNC2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
BACE1 P56817 1/20 0.52
SLC6A2 P23975 12/20 0.51
SLC6A4 P31645 12/20 0.51
SLC6A3 Q01959 3/20 0.51
KDM1A O60341 1/20 0.47
GRM2 Q14416 1/20 0.46
GRM3 Q14832 1/20 0.46
KCNH2 Q12809 2/20 0.45
CYP2D6 P10635 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL950613 1.00 BCHE (0.52) BCHEACHEBACE1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL950622 0.99 BCHE (0.51) BCHEACHEBACE1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL951684 0.99 BCHE (0.51) BCHEACHEBACE1SLC6A2SLC6A4
SCHEMBL5992982 0.91 BCHE (0.58) BCHEACHEBACE1SLC6A2SLC6A4
SCHEMBL951982 0.86 SLC6A2 (0.49) BCHEACHEBACE1SLC6A2SLC6A4
SCHEMBL951983 0.86 SLC6A2 (0.49) BCHEACHEBACE1SLC6A2SLC6A4
SCHEMBL8268060 0.83 SLC6A2 (0.51) BCHEACHEBACE1SLC6A2SLC6A4
SCHEMBL694951 0.82 BCHE (0.65) BCHEACHEBACE1KDM1AGRM2
SCHEMBL8266958 0.82 SLC6A4 (0.46) BCHEACHEBACE1SLC6A2SLC6A4
SCHEMBL5792097 0.82 MC4R (0.45) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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 5 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
EP-1805165-A1 1-(HETERO)ARYL-3-AMINO-PYROLLIDINE DERIVATIVES FOR USE AS MGLUR3 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-07-11 EP disclosed
WO-2006044454-A1 1-(HETERO)ARYL-3-AMINO-PYROLLIDINE DERIVATIVES FOR USE AS MGLUR3 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-04-27 WO 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 BCHE 3487/4885ACHE 2177/4885BACE1 1919/4885

“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.