SCHEMBL954298

SCHEMBL954298

O=C(O)N[C@H]1CCN(c2cccc(Br)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.44
CA1 P00915 8/20 0.44
CA2 P00918 8/20 0.44
CA4 P22748 8/20 0.44
CA7 P43166 8/20 0.44
CA9 Q16790 8/20 0.44
USP30 Q70CQ3 2/20 0.41
HSD11B1 P28845 1/20 0.41
TRPV1 Q8NER1 3/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
BTK Q06187 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 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
SCHEMBL954300 1.00 CA12 (0.44) CA12CA1CA2CA4CA7
SCHEMBL1579559 0.92 HSD11B1 (0.49) USP30HSD11B1GRIN2DGRIN3BGRIN1
SCHEMBL29265664 0.82 SUV39H2 (0.55) BTKSUV39H2
SCHEMBL950967 0.82 SUV39H2 (0.55) BTKSUV39H2
SCHEMBL950966 0.82 SUV39H2 (0.55) BTKSUV39H2
SCHEMBL4782081 0.80 TRPV1 (0.46) CA12CA1CA2CA4CA7
SCHEMBL11152923 0.80 CKS1B (0.55) HSD11B1OPRM1OPRK1OGFRL1GRIN2D
SCHEMBL15543466 0.79 ALOX5 (0.40) HSD11B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2974486 0.78 CA12 (0.60) CA12CA1CA2CA4CA7
SCHEMBL15378782 0.77 GLS (0.55) OPRM1

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 2 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
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 CA12 4850/4885CA1 3677/4885CA2 2405/4885

“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.