SCHEMBL4319086

SCHEMBL4319086

CN(Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.57
JAK1 P23458 1/20 0.57
NR1D1 P20393 1/20 0.49
GPR119 Q8TDV5 4/20 0.49
USP30 Q70CQ3 2/20 0.48
RPS6KB1 P23443 1/20 0.46
OPRK1 P41145 2/20 0.46
SIGMAR1 Q99720 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM1A O60341 1/20 0.42
HSD11B1 P28845 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
SCHEMBL4328643 0.86 JAK2 (0.57) JAK2JAK1NR1D1GPR119USP30
SCHEMBL8111279 0.83 JAK2 (0.78) JAK2JAK1NR1D1GPR119USP30
SCHEMBL8111282 0.83 JAK2 (0.78) JAK2JAK1NR1D1GPR119USP30
SCHEMBL4329728 0.82 JAK2 (0.51) JAK2JAK1NR1D1GPR119USP30
SCHEMBL4318763 0.81 MEN1 (0.53) JAK2JAK1GPR119USP30MEN1
SCHEMBL4302407 0.81 TP53 (0.49) GPR119OPRK1MEN1KMT2AKDM1A
SCHEMBL4304098 0.80 MEN1 (0.54) GPR119OPRK1MEN1KMT2A
SCHEMBL4302417 0.79 MEN1 (0.51) GPR119OPRK1MEN1KMT2AKDM1A
SCHEMBL4307829 0.78 MEN1 (0.48) GPR119OPRK1MEN1KMT2A
SCHEMBL621706 0.78 GPR119 (0.51) JAK2JAK1GPR119

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-7615648-B2 Aminomethyl-azacycle derivatives as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
US-20080004330-A1 Aminomethyl-Azacycle Derivatives as Inhibitors of Monoamine Uptake ELI LILLY AND COMPANY 2008-01-03 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-20080004330-A1 Aminomethyl-Azacycle Derivatives as Inhibitors of Monoamine Uptake SLC6A2, TPH1, SLC6A3 JAK2 2020/4885JAK1 1669/4885NR1D1 659/4885

“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.