SCHEMBL3854469

SCHEMBL3854469

C/C(N)=C/C(=O)OCCN(C)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
RECQL P46063 1/20 0.57
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
ATM Q13315 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3854475 1.00 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1L3MBTL1POLBGAA
SCHEMBL10426876 0.87 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1L3MBTL1POLBGAA
SCHEMBL10426895 0.87 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1L3MBTL1POLBGAA
SCHEMBL10426894 0.87 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1L3MBTL1POLBGAA
SCHEMBL10426877 0.87 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1L3MBTL1POLBGAA
SCHEMBL10426928 0.85 CHRNB2 (0.48) SMN1; SMN2ALDH1A1L3MBTL1POLBGAA
SCHEMBL10426927 0.85 CHRNB2 (0.48) SMN1; SMN2ALDH1A1L3MBTL1POLBGAA
SCHEMBL10344362 0.84 CRHBP (0.43) SMN1; SMN2ALDH1A1L3MBTL1POLBGAA
SCHEMBL10344360 0.84 CRHBP (0.43) SMN1; SMN2ALDH1A1L3MBTL1POLBGAA
SCHEMBL3345807 0.83 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1L3MBTL1POLBGAA

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
EP-0445987-A2 Novel process for producing 2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate-3-methyl ester-5-beta-(N-benzyl-N-methylamino)ethyl ester HIGASHIKAWA, Tetsuro (JP) 1991-09-11 EP claimed
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
EP-0462696-B1 Novel pyrido [2,3-f][1,4] thiazepines and pyrido [3,2-b][1,5] benzothiazepines ORTHO PHARMA CORP (US) 1995-08-09 EP disclosed
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0270926-B1 AGENTS PROMOTING THE ACTIVITY OF SOME ANTITUMOR AGENTS AND METHODS FOR THEIR PRODUCTION KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1993-03-17 EP disclosed
EP-0159040-B1 PYRIDINE DERIVATIVES AND PRODUCTION THEREOF NIPPON SHINYAKU COMPANY, LIMITED (JP) 1992-12-09 EP disclosed
EP-0462696-A1 Novel pyrido [2,3-f][1,4] thiazepines and pyrido [3,2-b][1,5] benzothiazepines ORTHO PHARMACEUTICAL CORPORATION (US) 1991-12-27 EP disclosed
US-5075440-A Hypotensive, bronchodilator agents ORTHO PHARMACEUTICAL CORPORATION (US) 1991-12-24 US disclosed
EP-0445987-A2 Novel process for producing 2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate-3-methyl ester-5-beta-(N-benzyl-N-methylamino)ethyl ester HIGASHIKAWA, Tetsuro (JP) 1991-09-11 EP disclosed
US-4576934-A VASODILATORS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-03-18 US disclosed
EP-0159040-A2 Pyridine derivatives and production thereof NIPPON SHINYAKU COMPANY, LIMITED (JP) 1985-10-23 EP disclosed
US-4535073-A VASODILATION NIPPON SHINYAKU CO LIMITED (JP) 1985-08-13 US disclosed
EP-0128010-A2 1,4-Dihydropyridine derivative, process for production thereof and pharmaceutical use thereof TEIJIN LIMITED (JP) 1984-12-12 EP disclosed
EP-0127150-A2 2,6-Disubstituted-1,4-dihydropyridine derivative, process for the preparation of the same and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-05 EP disclosed
EP-0121117-A1 Derivatives of dihydropyridine and production thereof NIPPON SHINYAKU COMPANY, LIMITED (JP) 1984-10-10 EP disclosed
EP-0110259-A1 1,4-Dihydropyridines, processes for their preparation and their use in medicines BAYER AG (DE) 1984-06-13 EP disclosed
EP-0088276-A1 Compounds, process for their preparation and their use as pharmaceutical preparations BAYER AG (DE) 1983-09-14 EP disclosed
EP-0012180-A1 1,4-Dihydropyridine compounds, their preparation, pharmaceutical compositions containing said compounds and preparation of these compositions BAYER AG (DE) 1980-06-25 EP disclosed
EP-0002208-A1 Nitro 1,4-dihydropyridines, medicaments containing them and their manufacture BAYER AG (DE) 1979-06-13 EP 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-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 SMN1; SMN2 376/4885ALDH1A1 426/4885L3MBTL1 2062/4885

“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.