SCHEMBL4313200

SCHEMBL4313200

O=C1CNCCN1c1[c]c2ccccc2cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
PRMT5 O14744 1/20 0.33
HTR3E A5X5Y0 2/20 0.33
HTR3B O95264 2/20 0.33
HTR3A P46098 2/20 0.33
HTR3D Q70Z44 2/20 0.33
HTR3C Q8WXA8 2/20 0.33
HTR5A P47898 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PIM1 P11309 2/20 0.32
PKM P14618 1/20 0.32
HTR6 P50406 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL4720688 0.76 HTR3A (0.42) HTR2CHTR2ASLC6A4HTR3EHTR3B
SCHEMBL4318925 0.75 HTR3A (0.49) HTR2CHTR2ASLC6A4HTR3EHTR3B
SCHEMBL4313251 0.73 SLC6A2 (0.36) HTR2CHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL4660475 0.71 SLC6A2 (0.37) SLC6A4SLC6A2SLC6A3PIM1
SCHEMBL5829529 0.71 CHRNB2 (0.45) HTR2CHTR2ASLC6A4HTR3EHTR3B
SCHEMBL5492496 0.70 RECQL (0.35) PKMKDM4EALDH1A1
SCHEMBL3650828 0.70 HTR6 (0.58) HTR2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL4719880 0.70 HTR3E (0.33) HTR2CHTR2ASLC6A4HTR3EHTR3B
SCHEMBL532873 0.70 NPC1 (0.50) SLC6A4SLC6A2SLC6A3PRMT5HTR3E
SCHEMBL844937 0.70 KDM4E (0.59) HTR2CSLC6A4PRMT5HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-7071184-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-07-04 US disclosed
EP-1532115-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-01-11 EP disclosed
US-20050256105-A1 Cysteine protease and serine protease inhibitors; arthritis, parasite infections, osteoporosis, gingivitis; e.g. benzofuran-2-carboxylic acid [(S)-1-((S)-1-cyclohexylmethyl-3,7-dioxo-azepan-4-ylcarbamoyl)-3-methyl-butyl]-amide JEONG JAE U 2005-11-17 US disclosed
US-20050256100-A1 Protease inhibitors JEONG JAE U 2005-11-17 US disclosed
WO-2005034838-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-04-21 WO disclosed
EP-1511492-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-09 EP disclosed
EP-1511745-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
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 (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-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ HTR2C 4034/4885HTR2A 3891/4885SLC6A4 3780/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ HTR2C 3921/4885HTR2A 3995/4885SLC6A4 3642/4885
US-20050256100-A1 Protease inhibitors SPINT2, PRSS1, ADAM17 HTR2C 3125/4885HTR2A 3446/4885SLC6A4 4156/4885
US-20050256105-A1 Cysteine protease and serine protease inhibitors; arthritis, parasite infections, osteoporosis, gingivitis; e.g. benzofuran-2-carboxylic acid [(S)-1-((S)-1-cyclohexylmethyl-3,7-dioxo-azepan-4-ylcarbamoyl)-3-methyl-butyl]-amide PRSS1, SPINT2, CTRL HTR2C 2122/4885HTR2A 3183/4885SLC6A4 4486/4885

“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.