SCHEMBL425172

SCHEMBL425172

CCCCSc1nnc(C)s1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
LMNA P02545 1/20 0.46
GRIN2B Q13224 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL8523619 0.94 ALDH1A1 (0.64) ALDH1A1GAAL3MBTL1MAPTPKM
SCHEMBL12110047 0.92 ALDH1A1 (0.67) ALDH1A1GAAL3MBTL1MAPTPKM
SCHEMBL28508900 0.92 ALDH1A1 (0.67) ALDH1A1GAAL3MBTL1MAPTPKM
SCHEMBL12232725 0.88 GAA (0.53) ALDH1A1GAAL3MBTL1MAPTPKM
SCHEMBL10797194 0.87 ALDH1A1 (0.63) ALDH1A1GAAL3MBTL1MAPTNPC1
SCHEMBL7810670 0.82 GAA (0.49) ALDH1A1GAAL3MBTL1MAPTPKM
SCHEMBL9602714 0.82 GAA (0.49) ALDH1A1GAAL3MBTL1MAPTPKM
SCHEMBL9602710 0.82 GAA (0.49) ALDH1A1GAAL3MBTL1MAPTPKM
SCHEMBL6361818 0.82 ALDH1A1 (0.58) ALDH1A1L3MBTL1NPC1RAB9AUSP2
SCHEMBL10797452 0.81 ALDH1A1 (0.72) ALDH1A1GAAL3MBTL1MAPTNPC1

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 21 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-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
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-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
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-0091141-B1 PROCESS FOR THE PREPARATION OF THIOETHERS GIST-BROCADES N.V. (NL) 1985-07-31 EP disclosed
US-4496720-A REACTING SILATED THIO WITH ORGANIC HALIDE, SULATE OR SULFONATE IN PRESENCE OF HEXAMETHYLPHOSPHORIC TRIAMIDE GIST-BROCADES N.V. (NL) 1985-01-29 US disclosed
EP-0091141-A1 Process for the preparation of thioethers GIST-BROCADES N.V. (NL) 1983-10-12 EP disclosed
EP-0088831-A1 Process for the preparation of thioethers GIST-BROCADES N.V. (NL) 1983-09-21 EP 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 (5 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 ALDH1A1 345/4885GAA 1034/4885L3MBTL1 4596/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 ALDH1A1 345/4885GAA 1034/4885L3MBTL1 4596/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ALDH1A1 345/4885GAA 1034/4885L3MBTL1 4596/4885
US-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ALDH1A1 380/4885GAA 1065/4885L3MBTL1 4613/4885
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ALDH1A1 345/4885GAA 1034/4885L3MBTL1 4596/4885

“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.