SCHEMBL636648

SCHEMBL636648

CC(C)(C)OC(=O)N1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.48
EPHX1 P07099 1/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
GPR119 Q8TDV5 9/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44

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
SCHEMBL16136078 0.81 HPGD (0.53) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL2770208 0.78 GPR119 (0.61) HPGDRECQLEPHX1MAPTGPR119
SCHEMBL85477 0.78 HPGD (0.57) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL24765156 0.78 HPGD (0.57) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL11966009 0.78 HPGD (0.57) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL213173 0.78 GPR119 (0.51) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL25067967 0.78 HPGD (0.53) HPGDRECQLEPHX1MAPTGPR119
SCHEMBL17226221 0.77 HPGD (0.55) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL23373205 0.77 HPGD (0.55) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL22549822 0.77 HPGD (0.55) HPGDRECQLEPHX1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326652-B1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK SHARP & DOHME (US) 2014-04-16 EP disclosed
EP-2238143-B1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2012-08-15 EP disclosed
US-8119806-B2 Cicletanine derivatives MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-8003811-B2 Nitric oxide donor compounds NICOX S.A. (FR) 2011-08-23 US disclosed
US-8003811-B2 Nitric oxide donor compounds NICOX S.A. (FR) 2011-08-23 US disclosed
EP-2313417-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS Nicox S.A. (FR) 2011-04-27 EP disclosed
US-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2011-03-31 US disclosed
US-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2011-03-31 US disclosed
EP-2238143-A1 NITRIC OXIDE DONOR COMPOUNDS Nicox S.A. (FR) 2010-10-13 EP disclosed
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-09-30 US disclosed
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-09-30 US disclosed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
WO-2009150007-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2009-12-17 WO disclosed
WO-2009098113-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2009-08-13 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 (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-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, AGT HPGD 1239/4885RECQL 2549/4885EPHX1 1665/4885
US-20100029678-A1 DIURETICS NR3C2, REN, NR3C1 HPGD 1192/4885RECQL 1563/4885EPHX1 1134/4885
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS1, NOS2 HPGD 109/4885RECQL 1785/4885EPHX1 966/4885

“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.