SCHEMBL2651847

SCHEMBL2651847

NC(CC1CCCCCC1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.49
GRIN3B O60391 5/20 0.49
GRIN1 Q05586 5/20 0.49
GRIN2A Q12879 5/20 0.49
GRIN2B Q13224 5/20 0.49
GRIN2C Q14957 5/20 0.49
GRIN3A Q8TCU5 5/20 0.49
SLC1A3 P43003 3/20 0.49
SLC1A2 P43004 3/20 0.49
SLC1A1 P43005 3/20 0.49
GRIK1 P39086 1/20 0.47

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
SCHEMBL43515 1.00 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5980862 1.00 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5605868 1.00 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2652715 1.00 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL503347 1.00 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL123134 1.00 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL971796 0.98 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Water SCHEMBL2651079 0.98 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Water SCHEMBL29155398 0.98 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL971795 0.98 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
US-8765763-B2 Substituted piperazines as CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-8568689-B1 uPAR-targeting contrast agents GE HEALTHCARE AS (NO) 2013-10-29 US disclosed
US-20120196872-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
EP-1796733-A2 UROKINASE PLASMINOGEN ACTIVATOR RECEPTOR TARGETED CONTRAST AGENTS GE Healthcare AS (NO) 2007-06-20 EP disclosed
EP-1425009-A4 PEPTIDE ARGINALS AND METHODS FOR TREATING DISSEMINATED INTRAVASCULAR COAGULATION IVAX INST FOR DRUG RES LTD (HU) 2006-10-25 EP disclosed
WO-2006036071-A2 UROKINASE PLASMINOGEN ACTIVATOR RECEPTOR TARGETED CONTRAST AGENT GE HEALTHCARE AS (NO) 2006-04-06 WO disclosed
EP-1349856-B1 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
US-20050070480-A1 Peptide arginals and methods for treating disseminated intravascular coagulation IVAX DRUG RESEARCH INSTITUTE LTD. (HU) 2005-03-31 US disclosed
EP-1425009-A2 PEPTIDE ARGINALS AND METHODS FOR TREATING DISSEMINATED INTRAVASCULAR COAGULATION Ivax Institute for Drug Research, Ltd. (HU) 2004-06-09 EP disclosed
EP-1349856-A2 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
WO-2003016273-A2 PEPTIDE ARGINALS AND METHODS FOR TREATING DISSEMINATED INTRAVASCULAR COAGULATION IVAX CORPORATION (US) 2003-02-27 WO disclosed
US-6482951-B2 ISOINDOLIN-1-ONE-SUBSTITUTED PROPIONAMIDE GLUCOKINASE ACTIVATORS WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES HOFFMANN-LA ROCHE INC. 2002-11-19 US disclosed
US-20020082260-A1 Isoindolin-1-one glucokinase activators GUERTIN KEVIN RICHARD (US) 2002-06-27 US disclosed
WO-2002048106-A2 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA-ROCHE AG (CH) 2002-06-20 WO disclosed
US-4914129-A Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups CIBA-GEIGY CORPORATION (US) 1990-04-03 US disclosed
US-4889869-A ANTIALDOSTERONISM AGENTS CIBA-GEIGY CORPORATION (US) 1989-12-26 US disclosed
US-4758584-A Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups CIBA-GEIGY CORPORATION (US) 1988-07-19 US disclosed
EP-0236734-A2 5-Amino-4-hydroxyvaleryl derivatives substituted by s-containing groups CIBA-GEIGY AG (CH) 1987-09-16 EP 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 (3 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-20020082260-A1 Isoindolin-1-one glucokinase activators GCKR, GCK, PGK2 GRIN2D 2231/4885GRIN3B 2515/4885GRIN1 1803/4885
US-20120196872-A1 NEW 5-ALKYNYL-PYRIDINES CALCR, CALCRL, P2RX5 GRIN2D 615/4885GRIN3B 378/4885GRIN1 275/4885
US-20050070480-A1 Peptide arginals and methods for treating disseminated intravascular coagulation ARGLU1, PLAT, SERPINC1 GRIN2D 4478/4885GRIN3B 2648/4885GRIN1 3476/4885

“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.