SCHEMBL330987

SCHEMBL330987

CC(C)(C)OC(=O)N1CCC[C@H]1Nc1ccc(F)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 1/20 0.47
NR1I2 O75469 1/20 0.46
AHR P35869 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CNR1 P21554 1/20 0.45
GPR35 Q9HC97 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
USP30 Q70CQ3 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL330988 1.00 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NPC1NR1I2
SCHEMBL4764235 0.90 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL4764237 0.90 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL4769848 0.86 MALT1 (0.50) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL4769852 0.86 MALT1 (0.50) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL30968029 0.83 MEN1 (0.46) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL28576768 0.81 NPC1 (0.61) ALDH1A1KMT2AMEN1NPC1HDAC8
SCHEMBL329831 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL329832 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL4764264 0.79 ALDH1A1 (0.41) ALDH1A1NPSR1USP30LMNAMALT1

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-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-09-13 US disclosed
EP-2407451-A1 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors Otsuka Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP 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-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ALDH1A1 345/4885KMT2A 1306/4885MEN1 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.