SCHEMBL951253

SCHEMBL951253

CC(C)(C)OC(=O)NC1CCN(c2ncc(Br)cn2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.50
CKS1B P61024 1/20 0.50
SKP1 P63208 1/20 0.50
SKP2 Q13309 1/20 0.50
CTSK P43235 2/20 0.49
BTK Q06187 2/20 0.48
JAK3 P52333 1/20 0.48
SUV39H2 Q9H5I1 3/20 0.47
MAP4K4 O95819 2/20 0.46
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
GRM2 Q14416 2/20 0.44
GRM3 Q14832 2/20 0.44
SYK P43405 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP2C9 P11712 1/20 0.42
HSD11B1 P28845 1/20 0.42
KDM4D Q6B0I6 1/20 0.42

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
SCHEMBL31271961 1.00 PDE10A (0.50) PDE10ACKS1BSKP1SKP2CTSK
SCHEMBL951251 1.00 PDE10A (0.50) PDE10ACKS1BSKP1SKP2CTSK
SCHEMBL31271542 0.93 BTK (0.56) PDE10ACKS1BSKP1SKP2CTSK
SCHEMBL20445961 0.93 BTK (0.56) PDE10ACKS1BSKP1SKP2CTSK
SCHEMBL31271226 0.93 BTK (0.56) PDE10ACKS1BSKP1SKP2CTSK
SCHEMBL16197180 0.93 CKS1B (0.54) PDE10ACKS1BSKP1SKP2CTSK
SCHEMBL20474685 0.90 JAK3 (0.44) PDE10ACKS1BSKP1SKP2CTSK
SCHEMBL15191231 0.88 MAP4K4 (0.50) PDE10ACKS1BSKP1SKP2CTSK
SCHEMBL31038865 0.88 PDE10A (0.50) PDE10ACKS1BSKP1SKP2CTSK
SCHEMBL18239342 0.86 GPR119 (0.55) PDE10ACKS1BSKP1SKP2CTSK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108135175-B Bicyclic compounds and their use for inhibition of SUV39H2 肿瘤疗法科学股份有限公司 2021-04-06 CN disclosed
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 PDE10A 1175/4885CKS1B 3098/4885SKP1 2653/4885

“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.