SCHEMBL1906108

SCHEMBL1906108

CCCCCN1CCCC1CN

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.55
S1PR3 Q99500 3/20 0.55
S1PR5 Q9H228 3/20 0.55
S1PR4 O95977 1/20 0.55
SPHK2 Q9NRA0 5/20 0.46
SPHK1 Q9NYA1 5/20 0.46
OPRD1 P41143 1/20 0.45
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
BCHE P06276 1/20 0.40
GBA1 P04062 1/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38

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
SCHEMBL7269957 0.98 S1PR1 (0.57) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL7269965 0.98 S1PR1 (0.57) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL7277972 0.94 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL856300 0.94 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL7278231 0.94 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL28211526 0.89 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL4375455 0.86 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL9155196 0.86 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4SPHK2
Fluoride SCHEMBL30330897 0.83 S1PR1 (0.56) S1PR1S1PR3S1PR5S1PR4SPHK2
Hydrochloric Acid SCHEMBL30330555 0.83 S1PR1 (0.56) S1PR1S1PR3S1PR5S1PR4SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1649857-A2 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2006-04-26 EP claimed
US-20050054650-A1 Use of glutamate antagonists for the treatment of cancer IKONOMIDOU HRISSANTHI (DE) 2005-03-10 US claimed
EP-1124553-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER Ikonomidou, Hrissanthi (DE) 2001-08-22 EP claimed
EP-1002535-A1 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2000-05-24 EP claimed
WO-2000024395-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER IKONOMIDOU HRISSANTHI (DE) 2000-05-04 WO claimed
US-20130281523-A1 LOW DOSE CANNABINOID MEDICAMENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2013-10-24 US disclosed
EP-2640379-A2 LOW DOSE CANNABINOID MEDICAMENTS Pier Pharmaceuticals (US) 2013-09-25 EP disclosed
US-20120231083-A1 SUSTAINED RELEASE CANNABINOID MEDICAMENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-09-13 US disclosed
WO-2012068516-A2 LOW DOSE CANNABINOID MEDICAMENTS PIER PHARMACEUTICALS (US) 2012-05-24 WO disclosed
US-8178496-B2 Photoreactive regulator of glutamate receptor function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-15 US disclosed
WO-2011063164-A2 SUSTAINED RELEASE CANNABINOID MEDICAMENTS STEADY SLEEP RX CO., INC. (US) 2011-05-26 WO disclosed
US-20090181454-A1 PHOTOREACTIVE REGULATOR OF GLUTAMATE RECEPTOR FUNCTION AND METHODS OF USE THEREOF ENERGY, UNITED STATE DEPARTMENT OF 2009-07-16 US disclosed
US-20050054650-A1 Use of glutamate antagonists for the treatment of cancer IKONOMIDOU HRISSANTHI (DE) 2005-03-10 US disclosed
US-6797692-B1 Use of glutamate antagonists for the treatment of cancer IKONOMIDOU HRISSANTHI (DE) 2004-09-28 US disclosed
EP-1427404-A2 TREATMENT OF GLIAL TUMORS WITH GLUTAMATE ANTAGONISTS Nedergaard, Maiken (US) 2004-06-16 EP disclosed
US-20030050224-A1 Blocking glutamate function at an ionotropic glutamate receptor. e.g., N-methyl-D-aspartate receptor, the alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropanoic acid receptor and the kainate receptor; brain disorders; spinal chord NEDERGAARD MAIKEN (US) 2003-03-13 US disclosed
WO-2003015713-A2 TREATMENT OF GLIAL TUMORS WITH GLUTAMATE ANTAGONISTS NEDERGAARD MAIKEN (US) 2003-02-27 WO disclosed
EP-1124553-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER Ikonomidou, Hrissanthi (DE) 2001-08-22 EP disclosed
EP-1002535-A1 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2000-05-24 EP disclosed
WO-2000024395-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER IKONOMIDOU HRISSANTHI (DE) 2000-05-04 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-20090181454-A1 PHOTOREACTIVE REGULATOR OF GLUTAMATE RECEPTOR FUNCTION AND METHODS OF USE THEREOF GRM2, GRM1, GRM3 S1PR1 2408/4885S1PR3 2183/4885S1PR5 1910/4885

“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.