SCHEMBL1908317

SCHEMBL1908317

C=CCC(C(=O)O)c1ccccc1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.62
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
KYNU Q16719 2/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.33
SRR Q9GZT4 1/20 0.33
GAA P10253 1/20 0.33
ALPI P09923 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
XIAP P98170 1/20 0.33

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
SCHEMBL10435608 0.85 CYP2C19 (0.42) CYP2C19TSHRCPN1CPB2KYNU
SCHEMBL598579 0.81 CYP2C19 (0.64) CYP2C19TSHRALDH1A1CYP1A2MEN1
SCHEMBL29962195 0.80 CYP2C19 (0.62) CYP2C19TSHRALDH1A1CYP1A2MEN1
SCHEMBL10952808 0.79 CYP2C19 (0.60) CYP2C19TSHRALDH1A1CYP1A2MEN1
SCHEMBL11497859 0.78 CYP2C19 (0.58) CYP2C19ALDH1A1HTTCYP1A2GRIK1
SCHEMBL31357901 0.77 LMNA (0.40) TSHRALDH1A1HSD17B10KYNUHTT
Hydrochloric Acid SCHEMBL21405660 0.77 LMNA (0.40) TSHRALDH1A1HSD17B10KYNUHTT
SCHEMBL372487 0.77 LMNA (0.40) TSHRALDH1A1HSD17B10KYNUHTT
SCHEMBL372276 0.77 CYP1A2 (0.57) CYP2C19TSHRALDH1A1HSD17B10CPN1
SCHEMBL1458057 0.77 CYP2C19 (1.00) CYP2C19ALDH1A1CPN1CPB2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1586321-B1 New use of glutamate antagonists for the treatment of cancer IKONOMIDOU HRISSANTHI (DE) 2008-12-10 EP claimed
EP-1586321-A1 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2005-10-19 EP claimed
US-20050054619-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-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 CYP2C19 4804/4885TSHR 192/4885ALDH1A1 2199/4885

“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.