SCHEMBL425010

SCHEMBL425010

CCCCSCc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
IDO1 P14902 3/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 2/20 0.46
APP P05067 1/20 0.45
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
CHRM2 P08172 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
CALM1 P0DP23 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
SCHEMBL27958966 0.93 LMNA (0.46) LMNAIDO1ALDH1A1SMN1; SMN2PKM
SCHEMBL8019398 0.86 LMNA (0.42) LMNAALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL25316972 0.84 IDO1 (0.46) IDO1ALDH1A1SMN1; SMN2PKMMAPT
SCHEMBL25919391 0.84 IDO1 (0.46) IDO1ALDH1A1SMN1; SMN2PKMMAPT
SCHEMBL62037 0.82 IDO1 (0.59) IDO1ALDH1A1SMN1; SMN2APPTP53
SCHEMBL13067926 0.81 IDO1 (0.47) LMNAIDO1ALDH1A1SMN1; SMN2PKM
SCHEMBL530937 0.81 IDO1 (0.47) LMNAIDO1ALDH1A1SMN1; SMN2PKM
SCHEMBL531291 0.81 SMN1; SMN2 (0.47) IDO1ALDH1A1SMN1; SMN2PKMMAPT
SCHEMBL12761207 0.81 LMNA (0.39) LMNAALDH1A1SMN1; SMN2PKMMAPT
SCHEMBL28030164 0.81 CASP3 (0.46) LMNAIDO1ALDH1A1SMN1; SMN2MAPT

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 30 patents — showing the first 20. 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-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-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-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-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
US-8815871-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 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
CN-1086699-C Process for the synthesis of benzo[b] thiophenes LILLY CO ELI (US) 2002-06-26 CN disclosed
CN-1341596-A Method for synthesizing benz [b] thiophenes compound LILLY CO ELI (US) 2002-03-27 CN disclosed
CN-1330071-A Synthetic method for benzo [b] thiophene derivative LILLY CO ELI (US) 2002-01-09 CN disclosed
CN-1068883-C Method for synthesizing ethenesulfonic acid derivative LILLY CO ELI (US) 2001-07-25 CN disclosed
CN-1192741-A Vinyl sulfoxide compound and synthetic method thereof LILLY CO ELI (US) 1998-09-09 CN disclosed
CN-1192738-A Process for synthesis of benzo[6] thiophenes LILLY CO ELI (US) 1998-09-09 CN disclosed
CN-1192212-A Process for the synthesis of benzo [ b ] thiophenes LILLY CO ELI (US) 1998-09-02 CN disclosed
CN-1192211-A Process for the synthesis of benzo[b] thiophenes LILLY CO ELI (US) 1998-09-02 CN disclosed
CN-1192215-A Method for synthesizing ethenesulfonic acid derivative LILLY CO ELI (US) 1998-09-02 CN 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 (4 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 LMNA 3720/4885IDO1 97/4885ALDH1A1 345/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 LMNA 3720/4885IDO1 97/4885ALDH1A1 345/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 LMNA 3720/4885IDO1 97/4885ALDH1A1 345/4885
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 LMNA 3720/4885IDO1 97/4885ALDH1A1 345/4885

“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.