SCHEMBL4477218

SCHEMBL4477218

O=C(O)N1CC[C@H](NCc2ncccc2-c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
MCHR1 Q99705 1/20 0.40
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE10A Q9Y233 1/20 0.39
NOS2 P35228 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
AKT1 P31749 1/20 0.38
SLC6A7 Q99884 1/20 0.38
CXCR4 P61073 1/20 0.38
USP30 Q70CQ3 2/20 0.38
MLNR O43193 1/20 0.37
SMO Q99835 1/20 0.37
DRD4 P21917 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL5505247 0.82 SLC6A2 (0.52) TSHRDRD4
SCHEMBL2087175 0.81 USP30 (0.51) KDM4EALDH1A1NOS2AKT1USP30
SCHEMBL1189971 0.76 ACHE (0.60) DRD4
SCHEMBL16269315 0.76 ACHE (0.60) DRD4
SCHEMBL23360468 0.73 TSHR (0.51) TSHRKDM4EALDH1A1
SCHEMBL23360466 0.73 TSHR (0.51) TSHRKDM4EALDH1A1
SCHEMBL17842566 0.72 ALDH1A1 (0.44) ALDH1A1
SCHEMBL4482940 0.72 SLC6A2 (0.38) HCRTR1HCRTR2PDE10ACXCR4
SCHEMBL18919693 0.71 BCHE (0.46) KDM4EALDH1A1DRD4
SCHEMBL18919696 0.71 BCHE (0.46) KDM4EALDH1A1DRD4

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-7619096-B2 3-Aminopyrrolidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
EP-1638934-B1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE LILLY CO ELI (US) 2008-01-09 EP disclosed
US-20060270713-A1 3-Aminopyrrolidines as inhibitors of monoamine uptake ELI LILLY AND COMPANY 2006-11-30 US disclosed
EP-1638934-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000811-A1 3-AMINOPYRROLIDINES 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 (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 HCRTR1 956/4885HCRTR2 775/4885MCHR1 178/4885

“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.