SCHEMBL1617472

SCHEMBL1617472

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 7/20 0.77
CACNA1D Q01668 7/20 0.77
CACNA1F O60840 5/20 0.77
CACNA1S Q13698 5/20 0.77
ADORA3 P0DMS8 5/20 0.77
LMNA P02545 3/20 0.77
CYP1A2 P05177 3/20 0.77
ABCC4 O15439 2/20 0.77
ABCB11 O95342 2/20 0.77
ADORA2A P29274 2/20 0.77
ADORA1 P30542 2/20 0.77
OPRM1 P35372 2/20 0.77
SCN1A P35498 2/20 0.77
HTR2B P41595 2/20 0.77
KCNH2 Q12809 2/20 0.77
SCN5A Q14524 2/20 0.77
SCN2A Q99250 2/20 0.77
SCN3A Q9NY46 2/20 0.77
CACNA1B Q00975 2/20 0.77
MAPT P10636 2/20 0.77

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
SCHEMBL29810716 1.00 CACNA1C (0.77) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL7266381 0.95 CACNA1B (0.74) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL8091424 0.95 CACNA1C (0.70) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL5085498 0.95 ADORA3 (0.86) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL7412221 0.95 CACNA1B (0.74) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL11524993 0.93 CACNA1C (0.67) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL11499593 0.92 CACNA1C (0.66) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL9765770 0.92 CACNA1C (0.86) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL6727785 0.91 CACNA1D (0.72) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL10823942 0.91 CACNA1D (0.65) CACNA1CCACNA1DCACNA1FCACNA1SADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction ANIONA APS (DK) 2002-08-29 US claimed
CN-114835633-B Preparation method of nifedipine 常州制药厂有限公司 2023-09-26 CN disclosed
CN-116425635-A Method for synthesizing nifedipine intermediate by using combined catalyst 合肥立方制药股份有限公司 2023-07-14 CN disclosed
CN-111233672-B Method for synthesizing nifedipine intermediate by using combined catalyst 合肥立方制药股份有限公司 2023-06-27 CN disclosed
CN-114835633-A Preparation method of nifedipine 常州制药厂有限公司 2022-08-02 CN disclosed
CN-111233672-A Method for synthesizing nifedipine intermediate by using combined catalyst 合肥立方制药股份有限公司 2020-06-05 CN disclosed
EP-1934561-B1 IMPROVED TIME/TEMPERATURE INDICATORS SUN CHEMICAL CORP (US) 2018-11-07 EP disclosed
EP-3288517-A1 MEDICAL BATHING DEVICE BSN Medical GmbH (DE) 2018-03-07 EP disclosed
EP-3288893-A1 MULTI-STEP PROCESS FOR NO PRODUCTION BSN Medical Holding GmbH (DE) 2018-03-07 EP disclosed
WO-2016174192-A1 MEDICAL BATHING DEVICE BSN MEDICAL GMBH (DE) 2016-11-03 WO disclosed
US-4520131-A WATER-SOLUBLE VASODIALATORS USV PHARMACEUTICAL (US) 1985-05-28 US disclosed
US-4505920-A Certain N-substituted-4-aryl-3,5-pyridine dicarboxylates and their antihypertensive use USV PHARMACEUTICAL CORPORATION (US) 1985-03-19 US disclosed
US-4500532-A HYPOTENSIVE AGENTS USV PHARMACEUTICAL CORPORATION (US) 1985-02-19 US disclosed
US-4497821-A Medicaments having antihypoxic and ischaemia-protective activity BAYER AKTIENGESELLSCHAFT (DE) 1985-02-05 US disclosed
US-4491582-A HYPOTENSIVE AGENTS USV PHARMACEUTICAL CORPORATION (US) 1985-01-01 US disclosed
EP-0124742-A2 Process for the preparation of symmetric 1,4-dihydropyridine-carboxylic esters BAYER AG (DE) 1984-11-14 EP disclosed
EP-0124743-A2 Process for the preparation of asymmetric 1,4-dihydropyridine-carboxylic acid esters BAYER AG (DE) 1984-11-14 EP disclosed
US-4478834-A Dihydropyridines and their use in the treatment of asthma USV PHARMACEUTICAL CORPORATION (US) 1984-10-23 US disclosed
US-4472584-A HYPOTENSIVE AGENTS USV PHARMACEUTICAL CORPORATION (US) 1984-09-18 US disclosed
US-4302591-A 1-BENZIMIDOYL-DIHYDROPYRIDINES USV PHARMACEUTICAL CORPORATION (US) 1981-11-24 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 (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-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction KCNN2, KCNN1, KCNJ2 CACNA1C 56/4885CACNA1D 77/4885CACNA1F 69/4885

“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.