SCHEMBL4765831

SCHEMBL4765831

CC(C)(C)OC(=O)N1CCCC1NCCCCOc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FKBP1A P62942 1/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
USP30 Q70CQ3 1/20 0.39
NPC1 O15118 1/20 0.39
KLK7 P49862 1/20 0.39
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
HCRTR2 O43614 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
SCHEMBL4765828 1.00 GPR119 (0.42) GPR119POLBKDM4EMEN1KMT2A
SCHEMBL330841 0.81 USP30 (0.55) GPR119USP30
SCHEMBL330840 0.81 USP30 (0.55) GPR119USP30
SCHEMBL9096414 0.76 GPR119 (0.43) GPR119POLBKDM4EMEN1KMT2A
SCHEMBL28534357 0.74 GPR119 (0.48) GPR119POLBKDM4EHCRTR2
SCHEMBL27462042 0.74 GPR119 (0.48) GPR119POLBTSHRUSP30HCRTR2
SCHEMBL29785710 0.72 HSD11B1 (0.54) GPR119POLBKDM4EMEN1KMT2A
SCHEMBL22039535 0.72 HSD11B1 (0.54) GPR119POLBKDM4EMEN1KMT2A
SCHEMBL5996711 0.72 MEN1 (0.45) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9095205 0.71 PREP (0.45) POLBKDM4EMEN1KMT2AHRH2

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-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
EP-1881975-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-30 EP disclosed
WO-2006121218-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 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-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 GPR119 590/4885POLB 2242/4885KDM4E 1194/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 GPR119 590/4885POLB 2242/4885KDM4E 1194/4885

“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.