SCHEMBL3435101

SCHEMBL3435101

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCl)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.81
MEN1 O00255 3/20 0.81
KMT2A Q03164 3/20 0.81
MAPT P10636 3/20 0.81
CYP1A2 P05177 2/20 0.81
CYP3A4 P08684 2/20 0.81
CYP2C9 P11712 2/20 0.81
CYP2C19 P33261 2/20 0.81
LMNA P02545 1/20 0.81
POLB P06746 1/20 0.81
MAPK1 P28482 1/20 0.81
GPR55 Q9Y2T6 1/20 0.81
CYP2D6 P10635 1/20 0.81
TSHR P16473 1/20 0.81
NFKB1 P19838 1/20 0.81
THPO P40225 1/20 0.81
CACNA1F O60840 7/20 0.76
CACNA1D Q01668 7/20 0.76
CACNA1S Q13698 7/20 0.76
CACNA1C Q13936 7/20 0.76

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
SCHEMBL7275184 0.96 CACNA1F (0.82) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL7280911 0.94 MEN1 (0.75) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL3436017 0.94 HIF1A (0.78) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL7430479 0.94 MEN1 (0.80) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL3435816 0.93 CACNA1F (0.88) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL11179186 0.93 HIF1A (0.69) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL10576375 0.92 CACNA1F (0.79) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL7290444 0.92 CACNA1F (0.79) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL7275200 0.92 CACNA1F (0.76) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL7275191 0.92 CACNA1F (0.76) HIF1AMEN1KMT2AMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115572253-A Synthesis process of manidipine hydrochloride raw material medicine 许昌恒生制药有限公司 2023-01-06 CN claimed
CN-115572253-A Synthesis process of manidipine hydrochloride raw material medicine 许昌恒生制药有限公司 2023-01-06 CN disclosed
US-8163907-B2 Dihydropyridine calcium antagonist compounds, preparation methods, and medical uses thereof COSUNTER PHARMACEUTICAL COMPANY (CN) 2012-04-24 US disclosed
US-8163907-B2 Dihydropyridine calcium antagonist compounds, preparation methods, and medical uses thereof COSUNTER PHARMACEUTICAL COMPANY (CN) 2012-04-24 US disclosed
CN-101525314-B Dihydropyridine calcium antagonist compound, preparation method and medicinal application thereof FUJIAN COSUNTER PHARMACEUTICAL CO LTD 2012-01-04 CN disclosed
US-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF COSUNTER PHARMACEUTICAL COMPANY (CN) 2011-08-18 US disclosed
US-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF COSUNTER PHARMACEUTICAL COMPANY (CN) 2011-08-18 US disclosed
CN-101525314-A Dihydropyridine calcium antagonist compound, preparation method and medicinal application thereof FUJIAN COSUNTER PHARMACEUTICAL 2009-09-09 CN disclosed
US-7585978-B2 Processes of manufacturing substituted-1,4-dihydropyridines, improved aqueous solutions thereof, and processes of manufacturing the solutions NAVINTA LLC (US) 2009-09-08 US disclosed
US-20080125595-A1 Single step one pot process for making nicardipine hydrochloride from 3-nitro-benzaldehyde, methyl aminocrotonate, and N-benzyl-N-methylaminoethyl acetoacetate; aqueous, injectable isotonic solution of nicardipine hydrochloride, L-arginine, and a sugar alcohol NAVINTA LLC. 2008-05-29 US disclosed
US-4705797-A HYPOTENSIVE AGENTS, VASODILATORS RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1987-11-10 US disclosed
US-4705794-A Ischaemia or hypoxia controlling compositions containing pyridinecarboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
US-4634712-A Antihypertensive esters of 1,4-dihydro-2,6-dimethyl-3-(alkoxycarbonyl or alkoxyalkoxycarbonyl)-4-(substituted phenyl)-pyridine-5-carboxylic acid RECORDATI S.A. (CH) 1987-01-06 US disclosed
EP-0184841-A2 1,4-Dihydropyridine derivatives, processes for their preparation and pharmaceutical compositions containing same NISSHIN FLOUR MILLING CO., LTD. (JP) 1986-06-18 EP disclosed
US-4565824-A Certain nitratoalkyl ester dihydropyridines having antihypertensive properties BAYER AKTIENGESELLSCHAFT (DE) 1986-01-21 US disclosed
US-4564619-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-14 US disclosed
EP-0164213-A1 Esters of 1,4-dihydro-2,6-dimethyl-3-(alkoxycarbonyl or alkoxyalkoxycarbonyl)-4-(substituted phenyl)-pyridine-5-carboxylic acid RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1985-12-11 EP disclosed
EP-0153016-A2 Asymmetrical diesters of 1,4-dihydro-2,6-dimethyl-pyridine-3,5-dicarboxylic acid RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1985-08-28 EP disclosed
US-4497821-A Medicaments having antihypoxic and ischaemia-protective activity BAYER AKTIENGESELLSCHAFT (DE) 1985-02-05 US disclosed
US-3985758-A 1,4-Dihydropyridine derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-10-12 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-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF RYR1, CACNA1E, CACNA1C HIF1A 2995/4885MEN1 434/4885KMT2A 3869/4885
US-20080125595-A1 Single step one pot process for making nicardipine hydrochloride from 3-nitro-benzaldehyde, methyl aminocrotonate, and N-benzyl-N-methylaminoethyl acetoacetate; aqueous, injectable isotonic solution of nicardipine hydrochloride, L-arginine, and a sugar alcohol ADH1C, PRMT1, SCN1B HIF1A 3962/4885MEN1 788/4885KMT2A 1436/4885

“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.