SCHEMBL330451

SCHEMBL330451

CCOC(=O)c1ccc(N(c2ccc(F)c(Cl)c2)C2CCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GPR119 Q8TDV5 5/20 0.44
USP30 Q70CQ3 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
CETP P11597 1/20 0.41
MAPT P10636 1/20 0.41
BTK Q06187 1/20 0.40
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40

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
SCHEMBL330452 1.00 PGR (0.46) PGRCYP2D6CYP2C9MEN1KMT2A
SCHEMBL332158 0.89 MEN1 (0.50) PGRCYP2D6CYP2C9MEN1KMT2A
SCHEMBL330910 0.89 MEN1 (0.50) PGRCYP2D6CYP2C9MEN1KMT2A
SCHEMBL330859 0.86 MEN1 (0.46) PGRCYP2D6CYP2C9MEN1KMT2A
SCHEMBL330858 0.86 MEN1 (0.46) PGRCYP2D6CYP2C9MEN1KMT2A
SCHEMBL330436 0.84 GPR119 (0.50) CYP2C9MEN1KMT2AGPR119
SCHEMBL330435 0.84 GPR119 (0.50) CYP2C9MEN1KMT2AGPR119
SCHEMBL4766576 0.83 MEN1 (0.42) MEN1KMT2AUSP30ALDH1A1LMNA
SCHEMBL4766580 0.83 MEN1 (0.42) MEN1KMT2AUSP30ALDH1A1LMNA
SCHEMBL330347 0.83 MEN1 (0.44) MEN1KMT2AGPR119USP30MAPT

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 14 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
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
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 US disclosed
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-8815871-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US disclosed
EP-1881975-B1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2014-01-08 EP disclosed
EP-2407451-B1 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMA CO LTD (JP) 2013-11-20 EP disclosed
US-20130203750-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
US-8420623-B2 N, N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
US-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 PGR 966/4885CYP2D6 169/4885CYP2C9 176/4885
US-20130203750-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 PGR 966/4885CYP2D6 169/4885CYP2C9 176/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 PGR 966/4885CYP2D6 169/4885CYP2C9 176/4885
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 PGR 966/4885CYP2D6 169/4885CYP2C9 176/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 PGR 966/4885CYP2D6 169/4885CYP2C9 176/4885
US-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 PGR 969/4885CYP2D6 172/4885CYP2C9 187/4885
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 PGR 966/4885CYP2D6 169/4885CYP2C9 176/4885

“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.