SCHEMBL4328643

SCHEMBL4328643

CN(Cc1cc(Cl)cc(Cl)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.57
JAK1 P23458 1/20 0.57
STS P08842 4/20 0.53
NR1D1 P20393 2/20 0.49
USP30 Q70CQ3 3/20 0.48
GPR119 Q8TDV5 4/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD11B1 P28845 2/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL4319086 0.86 JAK2 (0.57) JAK2JAK1NR1D1USP30GPR119
SCHEMBL8111282 0.84 JAK2 (0.78) JAK2JAK1STSNR1D1USP30
SCHEMBL8111279 0.84 JAK2 (0.78) JAK2JAK1STSNR1D1USP30
SCHEMBL4329728 0.83 JAK2 (0.51) JAK2JAK1STSNR1D1USP30
SCHEMBL24681334 0.78 USP30 (0.52) JAK2JAK1USP30GPR119MEN1
SCHEMBL20906990 0.78 USP30 (0.52) JAK2JAK1USP30GPR119MEN1
SCHEMBL20281450 0.77 JAK2 (0.72) JAK2JAK1STSUSP30GPR119
SCHEMBL651419 0.77 NR1D1 (0.58) JAK2JAK1STSNR1D1USP30
SCHEMBL803527 0.76 JAK2 (0.74) JAK2JAK1STSUSP30GPR119
SCHEMBL5984831 0.76 STS (0.56) STSUSP30

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 1669/4885STS 2676/4885

“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.