SCHEMBL3036626

SCHEMBL3036626

[CH2]Cc1nnnn1CCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.49
SLC6A4 P31645 5/20 0.49
SLC6A3 Q01959 5/20 0.49
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
DAGLA Q9Y4D2 2/20 0.44
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
USP2 O75604 1/20 0.40
HSD11B1 P28845 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL3034926 0.85 DAGLA (0.45) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL96028 0.84 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL96027 0.84 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL2090084 0.84 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL3032215 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL3021142 0.83 DAGLA (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL3030013 0.82 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL3029430 0.82 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL3022775 0.82 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL2090087 0.81 L3MBTL1 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1GAA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 SLC6A2 3465/4885SLC6A4 2694/4885SLC6A3 3018/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 SLC6A2 4154/4885SLC6A4 3724/4885SLC6A3 3462/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 SLC6A2 4353/4885SLC6A4 3914/4885SLC6A3 3589/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 SLC6A2 4260/4885SLC6A4 3735/4885SLC6A3 3196/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 SLC6A2 3741/4885SLC6A4 3049/4885SLC6A3 4136/4885

“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.