SCHEMBL4608748

SCHEMBL4608748

CC1=C(C(=O)O)C(c2ccccc2[N+](=O)[O-])C(C(=O)O)=C(C)N1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 4/20 0.73
CACNA1D Q01668 4/20 0.73
ADORA3 P0DMS8 3/20 0.73
CACNA1B Q00975 3/20 0.73
CACNA1F O60840 3/20 0.73
CACNA1S Q13698 3/20 0.73
KMT2A Q03164 3/20 0.73
ABCC4 O15439 2/20 0.73
ABCB11 O95342 2/20 0.73
LMNA P02545 2/20 0.73
CYP1A2 P05177 2/20 0.73
ADORA2A P29274 2/20 0.73
ADORA1 P30542 2/20 0.73
OPRM1 P35372 2/20 0.73
SCN1A P35498 2/20 0.73
HTR2B P41595 2/20 0.73
KCNH2 Q12809 2/20 0.73
SCN5A Q14524 2/20 0.73
SCN2A Q99250 2/20 0.73
SCN3A Q9NY46 2/20 0.73

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
SCHEMBL612520 1.00 CACNA1C (0.73) CACNA1CCACNA1DADORA3CACNA1BCACNA1F
SCHEMBL9138577 0.95 CACNA1C (0.67) CACNA1CCACNA1DADORA3CACNA1BCACNA1F
SCHEMBL7265431 0.92 ADORA3 (0.63) CACNA1CCACNA1DADORA3CACNA1BCACNA1F
SCHEMBL7272518 0.92 CACNA1D (0.63) CACNA1CCACNA1DADORA3CACNA1BCACNA1F
SCHEMBL7272521 0.92 CACNA1D (0.63) CACNA1CCACNA1DADORA3CACNA1BCACNA1F
Nifedipine SCHEMBL4440304 0.91 ADORA3 (0.90) CACNA1CCACNA1DADORA3CACNA1BCACNA1F
SCHEMBL719056 0.91 ADORA3 (0.90) CACNA1CCACNA1DADORA3CACNA1BCACNA1F
SCHEMBL7266381 0.89 CACNA1B (0.74) CACNA1CCACNA1DADORA3CACNA1BCACNA1F
SCHEMBL7412221 0.89 CACNA1B (0.74) CACNA1CCACNA1DADORA3CACNA1BCACNA1F
SCHEMBL7267435 0.88 CACNA1D (0.59) CACNA1CCACNA1DADORA3CACNA1BCACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532110-B1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ISOBUTYL METHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(2-NITROPHENYL)-3,5-PYRIDINE DICARBOXYLATE (NISOLDIPINE) ERREGIERRE SPA (IT) 2008-07-23 EP claimed
EP-0184841-B1 1,4-DIHYDROPYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-11-11 EP claimed
EP-0151989-B1 MEANS FOR THE TREATMENT OF CARDIAC DISEASES Ismail, Roshdy, Dr. (DE) 1991-04-10 EP claimed
EP-0126094-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS. CERMOL SA (CH) 1984-11-28 EP claimed
WO-1984002132-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL SA (CH) 1984-06-07 WO claimed
US-20250134908-A1 THERAPEUTICS AND METHOD FOR TREATING OSTEOARTHRITIS CALOSYN PHARMA INC. 2025-05-01 US disclosed
US-20240156756-A1 TOPICAL WIPE CONTAINING NIFEDIPINE AND LIDOCAINE STEEL THERAPEUTICS, INC. 2024-05-16 US disclosed
CN-111712241-B Sigma-1 receptor agonist systolic blood pressure therapy 阿纳韦克斯生命科学公司 2024-02-13 CN disclosed
EP-4312984-A1 TOPICAL WIPE CONTAINING NIFEDIPINE AND LIDOCAINE Steel Therapeutics, Inc. (US) 2024-02-07 EP disclosed
US-10940205-B2 Compositions of pharmaceutical actives containing diethylene glycol monoethyl ether or other alkyl derivatives THEMIS MEDICARE LIMITED (IN) 2021-03-09 US disclosed
US-20180071390-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES THEMIS MEDICARE LIMITED (IN) 2018-03-15 US disclosed
US-9827315-B2 Compositions of pharmaceutical actives containing diethylene glycol monoethyl ether or other alkyl derivatives THEMIS MEDICARE LIMITED (IN) 2017-11-28 US disclosed
US-4914159-A Optically active (meth)acrylamides, a process for their preparation, and their use for racemate resolution BAYER AKTIENGESELLSCHAFT (DE) 1990-04-03 US disclosed
EP-0194906-B1 HETEROCYCLIC DISSYMMETRIC 1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE FOURNIER INNOVATION ET SYNERGIE (FR) 1989-07-19 EP disclosed
US-4703119-A Intermediates of optically active 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1987-10-27 US disclosed
EP-0194906-A2 Heterocyclic dissymmetric 1,4-dihydropyridine-3,5-dicarboxylic-acid esters, process for their preparation and their therapeutical use FOURNIER INNOVATION ET SYNERGIE (FR) 1986-09-17 EP disclosed
EP-0126094-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS. CERMOL SA (CH) 1984-11-28 EP disclosed
WO-1984002132-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL SA (CH) 1984-06-07 WO disclosed
US-4446325-A VASODILATION, HYPOTENSIVE AGENTS MARUKO SEIYAKU CO., LTD. (JP) 1984-05-01 US disclosed
US-4021434-A CEREBRAL VASODILATORS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-05-03 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 (4 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-20180071390-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES DSG1, DEGS1, PLA2G2E CACNA1C 3611/4885CACNA1D 3865/4885ADORA3 1574/4885
US-10940205-B2 Compositions of pharmaceutical actives containing diethylene glycol monoethyl ether or other alkyl derivatives DSG1, DEGS1, PLA2G2E CACNA1C 3611/4885CACNA1D 3865/4885ADORA3 1574/4885
US-20240156756-A1 TOPICAL WIPE CONTAINING NIFEDIPINE AND LIDOCAINE CACNA1C, CACNA1D, CACNB3 CACNA1C 1/4885CACNA1D 2/4885ADORA3 1104/4885
US-20250134908-A1 THERAPEUTICS AND METHOD FOR TREATING OSTEOARTHRITIS CA2, SLC16A1, ORAI1 CACNA1C 30/4885CACNA1D 34/4885ADORA3 961/4885

“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.