SCHEMBL5085498

SCHEMBL5085498

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.86
CYP1A2 P05177 6/20 0.86
HIF1A Q16665 6/20 0.86
CYP2C9 P11712 6/20 0.86
CYP3A4 P08684 5/20 0.86
CYP2C19 P33261 5/20 0.86
KMT2A Q03164 5/20 0.86
CACNA1C Q13936 4/20 0.86
LMNA P02545 4/20 0.86
CACNA1D Q01668 4/20 0.86
MAPT P10636 4/20 0.86
ABCB11 O95342 3/20 0.86
SCN1A P35498 3/20 0.86
SCN5A Q14524 3/20 0.86
SCN2A Q99250 3/20 0.86
SCN3A Q9NY46 3/20 0.86
CACNA1F O60840 3/20 0.86
CACNA1S Q13698 3/20 0.86
CYP2D6 P10635 3/20 0.86
TSHR P16473 3/20 0.86

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
SCHEMBL1617472 0.95 CACNA1C (0.77) ADORA3CYP1A2HIF1ACYP2C9CYP3A4
SCHEMBL29810716 0.95 CACNA1C (0.77) ADORA3CYP1A2HIF1ACYP2C9CYP3A4
SCHEMBL11689121 0.93 ADORA3 (0.75) ADORA3CYP1A2HIF1ACYP2C9CYP3A4
Nifedipine SCHEMBL2156554 0.93 ADORA3 (0.90) ADORA3CYP1A2HIF1ACYP2C9CYP3A4
Nifedipine SCHEMBL3968 0.93 ADORA3 (1.00) ADORA3CYP1A2HIF1ACYP2C9CYP3A4
Nifedipine SCHEMBL1172946 0.93 ADORA3 (1.00) ADORA3CYP1A2HIF1ACYP2C9CYP3A4
Nifedipine SCHEMBL29349595 0.93 ADORA3 (1.00) ADORA3CYP1A2HIF1ACYP2C9CYP3A4
SCHEMBL7158381 0.92 ADORA3 (0.80) ADORA3CYP1A2HIF1ACYP2C9CYP3A4
SCHEMBL10742853 0.92 ADORA3 (0.72) ADORA3CYP1A2HIF1ACYP2C9CYP3A4
Nifedipine SCHEMBL8851402 0.92 ADORA3 (0.97) ADORA3CYP1A2HIF1ACYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008091135-A1 CONDUCTIVE POLYMER COMPOSITION FOR RADIOGRAPHIC IMAGING ELPANI CO., LTD. (KR) 2008-07-31 WO claimed
US-6545028-B2 Antiepileptic agents, hypotensive agents; monitoring membrane potentials NEUROSEARCH A/S (DK) 2003-04-08 US claimed
US-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction ANIONA APS (DK) 2002-08-29 US claimed
WO-2008091135-A1 CONDUCTIVE POLYMER COMPOSITION FOR RADIOGRAPHIC IMAGING ELPANI CO., LTD. (KR) 2008-07-31 WO disclosed
EP-1528960-A1 MULTILAYER COATING SYSTEM COMPRISING THIOL-FUNCTIONAL COMPOUNDS Akzo Nobel Coatings International B.V. (NL) 2005-05-11 EP disclosed
WO-2004018115-A1 MULTILAYER COATING SYSTEM COMPRISING THIOL-FUNCTIONAL COMPOUNDS AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2004-03-04 WO disclosed
US-20030230478-A1 Process for the preparation of 1,4 - dihydropyridines and novel 1,4-dihydropyridines useful as therapeutic agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2003-12-18 US disclosed
WO-2003099790-A1 PROCESS FOR THE PREPARATION OF 1,4-DIHYDROPYRIDINES AND NOVEL 1,4-DIHYDROPYRIDINES USEFUL AS THERAPEUTIC AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-12-04 WO disclosed
US-6545028-B2 Antiepileptic agents, hypotensive agents; monitoring membrane potentials NEUROSEARCH A/S (DK) 2003-04-08 US disclosed
US-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction ANIONA APS (DK) 2002-08-29 US disclosed
US-6067135-A Liquid crystal display device and method of manufacturing the same KABUSHIKI KAISHA TOSHIBA (JP) 2000-05-23 US disclosed
US-4988717-A Optically active 1,4-dihydropyridine esters useful for treating circulatory illnesses BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4849433-A The compound, (⃡)1,4-dihydro-2,6-dimethyl-4-(2'-nitrophenyl)-pyridine-3,5-dicarboxylic acid, methyl isobutyl ester, compositions containing same and a method for effecting coronary dilation BAYER AKTIENGESELLSCHAFT (DE) 1989-07-18 US disclosed
US-4510310-A 1,4-Dihydro-2,6-dimethyl-4-(2'-chlorophenyl)-3,5-dicarboxylic acid,methyl or ethyl,trifluoroethyl ester BAYER AKTIENGESELLSCHAFT (DE) 1985-04-09 US disclosed
US-3932645-A CORONARY VASODILATORS, HYPOTENSIVE AGENTS FARBENFABRIKEN BAYER AG (DT) 1976-01-13 US 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-20030230478-A1 Process for the preparation of 1,4 - dihydropyridines and novel 1,4-dihydropyridines useful as therapeutic agents HRH4, ODC1, OGDH ADORA3 238/4885CYP1A2 214/4885HIF1A 152/4885
US-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction KCNN2, KCNN1, KCNJ2 ADORA3 1409/4885CYP1A2 3170/4885HIF1A 2396/4885

“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.