SCHEMBL951982

SCHEMBL951982

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 1/20 0.49
P2RX7 Q99572 11/20 0.44
KDM1A O60341 1/20 0.43
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL951983 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3P2RX7KDM1A
SCHEMBL950613 0.86 BCHE (0.52) SLC6A2SLC6A4SLC6A3KDM1AMAPT
SCHEMBL950614 0.86 BCHE (0.52) SLC6A2SLC6A4SLC6A3KDM1AMAPT
Hydrochloric Acid SCHEMBL950622 0.84 BCHE (0.51) SLC6A2SLC6A4SLC6A3KDM1AMAPT
Hydrochloric Acid SCHEMBL951684 0.84 BCHE (0.51) SLC6A2SLC6A4SLC6A3KDM1AMAPT
SCHEMBL696317 0.84 BCHE (0.50) P2RX7MAPTBCHEACHEBACE1
SCHEMBL5793320 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3P2RX7KDM1A
SCHEMBL950740 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3P2RX7KDM1A
SCHEMBL950739 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3P2RX7KDM1A
SCHEMBL8268060 0.81 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KDM1ABCHE

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 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.