SCHEMBL1759710

SCHEMBL1759710

OC[CH]c1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.54
CYP1A2 P05177 1/20 0.44
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
TRPA1 O75762 1/20 0.41

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
SCHEMBL28795039 0.79 ERN1 (0.38) NFE2L2CYP1A2GRIN2DGRIN3BGRIN1
SCHEMBL23457275 0.78 NFE2L2 (0.56) NFE2L2CYP1A2GRIN2DGRIN3BGRIN1
SCHEMBL3713124 0.78 NFE2L2 (0.56) NFE2L2CYP1A2GRIN2DGRIN3BGRIN1
SCHEMBL320615 0.77 NFE2L2 (0.62) NFE2L2CYP1A2GRIN2DGRIN3BGRIN1
SCHEMBL4090323 0.77 NFE2L2 (0.62) NFE2L2CYP1A2GRIN2DGRIN3BGRIN1
SCHEMBL2118262 0.76 NFE2L2 (0.68) NFE2L2CYP1A2GRIN2DGRIN3BGRIN1
SCHEMBL28099411 0.76 NFE2L2 (0.54) NFE2L2CYP1A2GRIN2DGRIN3BGRIN1
SCHEMBL5074495 0.73 TRIM24 (0.52) NFE2L2TRPA1
SCHEMBL5407394 0.73 CES2 (0.44) CYP1A2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8112257 0.73 NFE2L2 (0.50) NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765728-B2 [1,5]-diazocin derivatives MELLITECH (FR) 2014-07-01 US disclosed
EP-2501685-A1 [1,5]-DIAZOCIN DERIVATIVES Mellitech (FR) 2012-09-26 EP disclosed
US-20120225892-A1 [1,5]-Diazocin Derivatives MELLITECH (FR) 2012-09-06 US disclosed
WO-2011058193-A1 [1,5]-DIAZOCIN DERIVATIVES MELLITECH (FR) 2011-05-19 WO disclosed
EP-1796675-A4 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES MERCK & CO INC (US) 2009-03-04 EP disclosed
US-20080096859-A1 Compositions and Methods for Treating Ophthalmic Diseases MERCK SHARP & DOHME CORP. 2008-04-24 US disclosed
CN-101035537-A Compositions and methods for treating ocular diseases MERCK & CO INC (US) 2007-09-12 CN disclosed
EP-1796675-A2 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES Merck & Co., Inc. (US) 2007-06-20 EP disclosed
WO-2006039252-A2 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES MERCK & CO., INC. (US) 2006-04-13 WO disclosed
US-6127388-A Azetidine, pyrrolidine and piperidine derivatives as 5-HT1D receptor agonists MERCK SHARP & DOHME LTD. (GB) 2000-10-03 US disclosed
US-5998440-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARPE & DOHME LTD. (GB) 1999-12-07 US disclosed
EP-0906308-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS MERCK SHARP & DOHME LTD. (GB) 1999-04-07 EP disclosed
US-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 US disclosed
EP-0861244-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP disclosed
WO-1997045426-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-12-04 WO disclosed
EP-0804434-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1997-11-05 EP disclosed
WO-1997018201-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-22 WO disclosed
WO-1996004274-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 WO disclosed
CN-1034924-A quinoline, quinazoline and cinnoline derivatives LILLY CO ELI (US) 1989-08-23 CN 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 (2 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-20080096859-A1 Compositions and Methods for Treating Ophthalmic Diseases CXCL12, CXCR4, CX3CR1 NFE2L2 1005/4885CYP1A2 4845/4885GRIN2D 4389/4885
US-20120225892-A1 [1,5]-Diazocin Derivatives IAPP, INSR, GLP1R NFE2L2 1294/4885CYP1A2 2743/4885GRIN2D 3302/4885

“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.