SCHEMBL5407213

SCHEMBL5407213

O=C(COCCN1CCCC1)CC(=O)OCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
LTA4H P09960 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH1 P35367 3/20 0.44
SLC6A2 P23975 1/20 0.44
HRH2 P25021 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TEK Q02763 1/20 0.44
KCNH2 Q12809 1/20 0.44
USP2 O75604 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 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
SCHEMBL7531660 0.99 HRH3 (0.47) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL7535886 0.99 HRH3 (0.47) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL5411053 0.90 ALDH1A1 (0.55) KDM4EALDH1A1
SCHEMBL7368858 0.82 HRH3 (0.52) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL7364513 0.82 KDM4E (0.59) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL5410167 0.82 LTA4H (0.54) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL7383210 0.81 ALDH1A1 (0.64) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL5396713 0.81 LTA4H (0.53) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL7906481 0.81 SMN1; SMN2 (0.62) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL7373567 0.81 SMN1; SMN2 (0.62) HRH3LTA4HKDM4EALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247645-B2 Dihydropyridine derivatives AJINOMOTO CO., INC. (JP) 2007-07-24 US disclosed
US-20020147222-A1 Dihydropyridine derivatives AJINOMOTO CO. INC (JP) 2002-10-10 US disclosed
EP-1191021-A1 DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-03-27 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-20020147222-A1 Dihydropyridine derivatives CACNA1B, CACNA1D, CACNA1C HRH3 1086/4885LTA4H 1813/4885KDM4E 3946/4885

“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.