SCHEMBL6955804

SCHEMBL6955804

COC(=O)c1c(C)nc(C)c(C(=O)OCCN(C)Cc2ccccc2)c1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
CYP1A2 P05177 3/20 0.60
CYP3A4 P08684 3/20 0.60
CYP2D6 P10635 3/20 0.60
CYP2C9 P11712 3/20 0.60
CYP2C19 P33261 3/20 0.60
MAPT P10636 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
TSHR P16473 2/20 0.60
ADORA3 P0DMS8 2/20 0.60
CACNA1C Q13936 2/20 0.60
ABCB1 P08183 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
ADRA2A P08913 2/20 0.60
ABCC4 O15439 1/20 0.60
ABCB11 O95342 1/20 0.60
PGR P06401 1/20 0.60
CHRM2 P08172 1/20 0.60

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
SCHEMBL28410690 0.89 SMN1; SMN2 (0.49) LMNASMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL31059902 0.88 SMN1; SMN2 (0.57) LMNASMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL10748702 0.83 ALDH1A1 (0.58) LMNASMN1; SMN2MAPTCACNA1CABCB1
SCHEMBL10749941 0.82 ALDH1A1 (0.57) LMNASMN1; SMN2MAPTCACNA1CABCB1
SCHEMBL6956135 0.82 SMN1; SMN2 (0.62) LMNASMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL10746185 0.82 ALDH1A1 (0.70) LMNASMN1; SMN2MAPTTDP1CACNA1C
SCHEMBL11007208 0.80 CACNA1C (0.53) LMNASMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL10745416 0.80 ALDH1A1 (0.54) LMNASMN1; SMN2MAPTCACNA1CABCB1
SCHEMBL10749200 0.80 PDE1C (0.49) LMNASMN1; SMN2MAPTCACNA1CABCB1
SCHEMBL4384277 0.80 ALDH1A1 (0.64) LMNASMN1; SMN2MAPTTDP1CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12440482-B2 1,4-dihydropyridine compositions, methods of making and use AMERICAN REGENT, INC. (US) 2025-10-14 US claimed
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP claimed
US-12440482-B2 1,4-dihydropyridine compositions, methods of making and use AMERICAN REGENT, INC. (US) 2025-10-14 US 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-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-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-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP disclosed
US-6482841-B1 Pyridyl compounds and pharmaceutical compositions containing them CERMOL S.A. (CH) 2002-11-19 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-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 LMNA 1352/4885SMN1; SMN2 376/4885CYP1A2 2304/4885

“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.