SCHEMBL401146

SCHEMBL401146

N#Cc1ccc2[nH]cc(Cl)c2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.49
DRD4 P21917 3/20 0.49
DRD3 P35462 3/20 0.49
SLC6A4 P31645 9/20 0.49
HTR6 P50406 2/20 0.49
IDO1 P14902 1/20 0.47
MAP3K14 Q99558 1/20 0.47
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
HTR1A P08908 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL6790254 0.86 IDO1 (0.49) DRD2DRD4DRD3SLC6A4HTR6
SCHEMBL11976872 0.85 IDO1 (0.50) DRD2DRD4DRD3SLC6A4HTR6
SCHEMBL13323651 0.81 HTR6 (0.63) SLC6A4HTR6IDO1MAP3K14IMPDH2
SCHEMBL20846161 0.79 HTR6 (0.51) DRD2DRD4DRD3SLC6A4HTR6
SCHEMBL20846200 0.78 EGFR (0.50) DRD2DRD4DRD3SLC6A4HTR6
SCHEMBL22359655 0.78 SLC6A4 (0.49) SLC6A4HTR6IDO1MAP3K14IMPDH2
SCHEMBL14142175 0.78 AR (0.51) SLC6A4HTR6IDO1MAP3K14IMPDH2
SCHEMBL733659 0.78 SLC6A4 (0.52) SLC6A4HTR6IDO1HTR1ADRD1
SCHEMBL91369 0.78 SLC6A4 (0.49) SLC6A4HTR6IDO1MAP3K14IMPDH2
SCHEMBL3627983 0.78 MAP3K14 (0.54) SLC6A4HTR6IDO1MAP3K14IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103012390-A Indole derivatives as S1P1 receptor GLAXO GROUP LTD 2013-04-03 CN disclosed
CN-101611033-B Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD 2012-10-31 CN disclosed
EP-2206710-B1 Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2012-07-04 EP disclosed
EP-2206710-B1 Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2012-07-04 EP disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
EP-2091949-B1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2011-05-18 EP disclosed
EP-2091949-B1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2011-05-18 EP disclosed
EP-2206710-A1 Indole derivatives as S1P1 receptor agonists Glaxo Group Limited (GB) 2010-07-14 EP disclosed
EP-2206710-A1 Indole derivatives as S1P1 receptor agonists Glaxo Group Limited (GB) 2010-07-14 EP disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
CN-101611033-A Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2009-12-23 CN disclosed
EP-2091949-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 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 (1 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-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR S1PR1, S1PR3, S1PR2 DRD2 247/4885DRD4 669/4885DRD3 366/4885

“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.