SCHEMBL4163063

SCHEMBL4163063

CC(C)(C)OC(=O)N1CCCC1N(c1ccc(F)c(Cl)c1)c1ccc(-c2ccc(F)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
USP30 Q70CQ3 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
APP P05067 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HRH2 P25021 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
SCHEMBL4163061 1.00 TSHR (0.41) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL4769940 0.88 TSHR (0.41) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL4769937 0.88 TSHR (0.41) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL331806 0.84 GPR119 (0.49) MEN1KMT2AGPR119USP30
SCHEMBL331807 0.84 GPR119 (0.49) MEN1KMT2AGPR119USP30
SCHEMBL4762745 0.82 GPR119 (0.45) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL4762744 0.82 GPR119 (0.45) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL4763964 0.81 TSHR (0.43) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL4763962 0.81 TSHR (0.43) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL4762739 0.80 ALDH1A1 (0.42) TSHRLMNAMEN1KMT2AMAPT

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-8084442-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 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 (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-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 TSHR 490/4885LMNA 3720/4885MEN1 2104/4885

“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.