SCHEMBL950739

SCHEMBL950739

Fc1ccc(CN[C@H]2CCNC2)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.49
SLC6A4 P31645 13/20 0.49
SLC6A3 Q01959 2/20 0.48
KDM1A O60341 2/20 0.43
P2RX7 Q99572 3/20 0.42
EPHX2 P34913 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL950740 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KDM1AP2RX7
SCHEMBL5968212 0.90 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL31532355 0.89 P2RX7 (0.46) SLC6A2SLC6A4SLC6A3P2RX7IDO1
SCHEMBL8266958 0.86 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3KDM1AP2RX7
SCHEMBL4488371 0.82 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3
SCHEMBL4749429 0.82 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3
SCHEMBL20767115 0.82 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3EPHX2
SCHEMBL951983 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KDM1AP2RX7
SCHEMBL951982 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KDM1AP2RX7
SCHEMBL25570743 0.77 BCHE (0.56) SLC6A2SLC6A4SLC6A3

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 SLC6A2 1059/4885SLC6A4 437/4885SLC6A3 158/4885

“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.