SCHEMBL7045838

SCHEMBL7045838

CC[N+](CC)(CC)CC1=C(C(=O)OC)C(c2ccccc2OC(F)F)C(C(=O)OC)=C(C[N+](CC)(CC)CC)N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.65
GAA P10253 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CACNA1C Q13936 2/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
HTR1A P08908 2/20 0.39
ADRA2A P08913 2/20 0.39
CHRM1 P11229 2/20 0.39
DRD1 P21728 2/20 0.39
TBXA2R P21731 2/20 0.39
SLC6A2 P23975 2/20 0.39
ADRA1A P35348 2/20 0.39

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
SCHEMBL7049239 0.84 NR1I2 (0.70) NR1I2GAAMEN1KMT2ASMN1; SMN2
SCHEMBL24116766 0.79 NR1I2 (0.60) NR1I2GAAMEN1KMT2ASMN1; SMN2
Riodipine SCHEMBL29389667 0.79 NR1I2 (1.00) NR1I2GAAMEN1KMT2ASMN1; SMN2
Riodipine SCHEMBL636400 0.79 NR1I2 (1.00) NR1I2GAAMEN1KMT2ASMN1; SMN2
Bromide SCHEMBL7046108 0.79 NR1I2 (0.62) NR1I2GAAMEN1KMT2ASMN1; SMN2
SCHEMBL10893108 0.75 NR1I2 (0.91) NR1I2GAAMEN1KMT2ASMN1; SMN2
SCHEMBL7049245 0.72 NR1I2 (0.66) NR1I2GAAMEN1KMT2ASMN1; SMN2
SCHEMBL24116896 0.72 NR1I2 (0.55) NR1I2GAAMEN1KMT2ASMN1; SMN2
SCHEMBL24116895 0.72 NR1I2 (0.55) NR1I2GAAMEN1KMT2ASMN1; SMN2
SCHEMBL30266531 0.72 NR1I2 (0.55) NR1I2GAAMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds SPONDULI SERVICES, LTD. (AU) 2003-04-03 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 (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-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds ACIN1, DNA2, KPNA1 NR1I2 2809/4885GAA 1302/4885MEN1 2117/4885

“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.