SCHEMBL4487330

SCHEMBL4487330

CC(C)CN(Cc1ccccc1Cc1ccccn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.44
GPR119 Q8TDV5 4/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
NR1D1 P20393 1/20 0.41
HSD11B1 P28845 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CACNA1B Q00975 1/20 0.39
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL4690565 0.87 SLC6A2 (0.41) MEN1KMT2ACACNA1B
SCHEMBL3267607 0.78 GPR119 (0.44) GPR119
SCHEMBL653650 0.77 NR1D1 (0.64) USP30GPR119JAK2JAK1NR1D1
SCHEMBL27661559 0.77 SLC6A2 (0.53) USP30GPR119JAK2JAK1
SCHEMBL5670810 0.77 SLC6A2 (0.53) USP30GPR119JAK2JAK1
SCHEMBL5993914 0.76 SLC6A2 (0.59) GPR119MEN1KMT2A
SCHEMBL5992970 0.75 GPR119 (0.46) GPR119JAK2JAK1MEN1KMT2A
SCHEMBL5996682 0.75 SLC6A2 (0.59) GPR119MEN1KMT2A
Acetic Acid SCHEMBL5993263 0.74 SLC6A2 (0.58) GPR119MEN1KMT2A
SCHEMBL4487331 0.74 CYP1A2 (0.37)

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-7619096-B2 3-Aminopyrrolidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-20060270713-A1 3-Aminopyrrolidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY 2006-11-30 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-20060270713-A1 3-Aminopyrrolidines as inhibitors of monoamine uptake SLC6A2, SLC6A3, SLC18A2 USP30 4560/4885GPR119 425/4885JAK2 2980/4885

“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.