SCHEMBL5127973

SCHEMBL5127973

CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccccc2C(F)(F)F)C2CCCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.52
SLC6A4 P31645 3/20 0.52
P2RX7 Q99572 2/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
PGR P06401 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
USP30 Q70CQ3 4/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
ACKR3 P25106 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
HSD11B1 P28845 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
SCHEMBL28942626 1.00 SLC6A2 (0.52) SLC6A2SLC6A4P2RX7JAK2JAK1
SCHEMBL5996568 0.91 SLC6A2 (0.55) SLC6A2SLC6A4JAK2JAK1PGR
SCHEMBL5993452 0.85 SLC6A2 (0.49) SLC6A2SLC6A4JAK2JAK1PGR
SCHEMBL5120703 0.85 SLC6A2 (0.60) SLC6A2SLC6A4PGRCYP2D6CYP2C9
SCHEMBL27661559 0.85 SLC6A2 (0.53) SLC6A2SLC6A4P2RX7JAK2JAK1
SCHEMBL5670810 0.85 SLC6A2 (0.53) SLC6A2SLC6A4P2RX7JAK2JAK1
SCHEMBL5112323 0.80 SLC6A2 (0.41) SLC6A2SLC6A4P2RX7JAK2JAK1
SCHEMBL4690064 0.79 SLC6A2 (0.53) SLC6A2SLC6A4JAK2JAK1PGR
SCHEMBL5666594 0.79 USP30 (0.51) P2RX7JAK2JAK1USP30KDM4E
SCHEMBL5996937 0.76 SLC6A2 (0.57) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432280-B2 3-aminopiperidines and 3-aminoquinuclidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2008-10-07 US disclosed
US-20070066663-A1 3-Aminopiperidines and 3-aminoquinuclidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2007-03-22 US disclosed
US-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY (US) 2006-10-26 US disclosed
EP-1638560-A1 3-AMINOPIPERIDINES AND 3-AMINOQUINUCLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000305-A1 3-AMINOPIPERIDINES AND 3-AMINOQUINUCLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-01-06 WO 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 (2 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-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 SLC6A2 1/4885SLC6A4 3/4885P2RX7 3099/4885
US-20070066663-A1 3-Aminopiperidines and 3-aminoquinuclidines as inhibitors of monoamine uptake SLC6A2, SLC6A3, SLC18A1 SLC6A2 1/4885SLC6A4 6/4885P2RX7 1564/4885

“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.