SCHEMBL4313256

SCHEMBL4313256

O=C1CNCCN1c1cc[c]cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.45
SLC6A4 P31645 7/20 0.45
SLC6A3 Q01959 6/20 0.45
MAPKAPK2 P49137 1/20 0.39
MAP4K1 Q92918 1/20 0.35
WEE1 P30291 1/20 0.34
PIM1 P11309 2/20 0.32
ALDH1A1 P00352 1/20 0.31
PARP1 P09874 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD11B1 P28845 1/20 0.30
PRMT5 O14744 1/20 0.30

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
SCHEMBL532873 0.81 NPC1 (0.50) SLC6A2SLC6A4SLC6A3MAPKAPK2MEN1
SCHEMBL3656969 0.80 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAPKAPK2ALDH1A1
Hydrochloric Acid SCHEMBL2854834 0.80 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MAPKAPK2MEN1
SCHEMBL4396319 0.80 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAPKAPK2MAP4K1
SCHEMBL85663 0.80 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAPKAPK2MAP4K1
SCHEMBL20639714 0.79 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3MAPKAPK2
SCHEMBL16570287 0.79 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MAPKAPK2MAP4K1
SCHEMBL5767402 0.79 ADRB2 (0.52) SLC6A2SLC6A4SLC6A3MAPKAPK2MAP4K1
Hydrochloric Acid SCHEMBL1583516 0.79 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MAPKAPK2ALDH1A1
SCHEMBL8286227 0.79 ADRB1 (0.52) SLC6A2SLC6A4SLC6A3MAPKAPK2MAP4K1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US claimed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO claimed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US disclosed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO disclosed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
EP-1534292-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-04-02 EP disclosed
CN-101001842-A Amido compounds and their use as pharmaceuticals INCYTE CORP (US) 2007-07-18 CN disclosed
EP-1578429-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-12-06 EP disclosed
EP-1511745-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-11-15 EP disclosed
US-7109233-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US disclosed
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
EP-1511492-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-09 EP disclosed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US disclosed
WO-2003103574-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 WO disclosed
WO-2003104257-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 WO disclosed
WO-2003099844-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-04 WO disclosed
WO-2003097593-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-11-27 WO disclosed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP disclosed
CN-1416346-A Peotease inhibitors SMITHKLINE BEECHAM CORP (US) 2003-05-07 CN disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 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 (3 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-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ SLC6A2 4681/4885SLC6A4 3780/4885SLC6A3 3919/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ SLC6A2 4577/4885SLC6A4 3642/4885SLC6A3 3594/4885
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN SLC6A2 4779/4885SLC6A4 4512/4885SLC6A3 4759/4885

“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.