SCHEMBL5127976

SCHEMBL5127976

CC(C)(C)C1[C@@H](N(Cc2ccccc2C(F)(F)F)C2CCCC2)CCCN1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.52
SLC6A4 P31645 10/20 0.52
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.41
TACR1 P25103 1/20 0.41
SLC6A3 Q01959 2/20 0.41
DPP4 P27487 1/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
ATM Q13315 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RORC P51449 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
SCHEMBL5925320 0.83 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3DPP4FAP
SCHEMBL5112330 0.79 SLC6A2 (0.42) SLC6A2SLC6A4KDM4EALDH1A1MAPT
SCHEMBL6264470 0.77 KDM4E (0.47) KDM4EALDH1A1MAPTTACR1DPP4
SCHEMBL5120703 0.77 SLC6A2 (0.60) SLC6A2SLC6A4KDM4EALDH1A1MAPT
SCHEMBL4487295 0.76 SLC6A4 (0.39) SLC6A2SLC6A4KDM4ETACR1SLC6A3
SCHEMBL5887848 0.73 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL4687367 0.73 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL5232639 0.73 SLC6A2 (0.49) SLC6A2SLC6A4KDM4EALDH1A1SLC6A3
SCHEMBL5696046 0.72 SIGMAR1 (0.45) KDM4EALDH1A1MAPTTACR1ATM
SCHEMBL5996568 0.72 SLC6A2 (0.55) SLC6A2SLC6A4KDM4EMEN1KMT2A

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
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
WO-2005053663-A2 NOREPINEPHRINE REUPTAKE INHIBITORS USEFUL FOR TREATMENT OF COGNITIVE FAILURE ELI LILLY AND COMPANY (US) 2005-06-16 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 3/4885KDM4E 392/4885
US-20070066663-A1 3-Aminopiperidines and 3-aminoquinuclidines as inhibitors of monoamine uptake SLC6A2, SLC6A3, SLC18A1 SLC6A2 1/4885SLC6A4 6/4885KDM4E 1572/4885

“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.