SCHEMBL7530486

SCHEMBL7530486

N/C(=C\C(=O)OCCC(c1ccccc1)c1ccccc1)COCCc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NPY1R P25929 2/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL7530493 1.00 HRH2 (0.40) HRH2CA12CA1CA2CA9
SCHEMBL5407039 0.81 SMN1; SMN2 (0.35) SMN1; SMN2CYP1A2CYP2C19ALDH1A1THRB
SCHEMBL5407046 0.81 SMN1; SMN2 (0.35) SMN1; SMN2CYP1A2CYP2C19ALDH1A1THRB
SCHEMBL7526215 0.79 EPHX2 (0.40) HRH2CA12CA1CA2CA9
SCHEMBL5414173 0.77 NPC1 (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5414184 0.77 NPC1 (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5405914 0.76 HRH2 (0.39) HRH2CA12CA1CA2CA9
SCHEMBL5405909 0.76 HRH2 (0.39) HRH2CA12CA1CA2CA9
SCHEMBL5405591 0.75 PTPRA (0.42) HRH2CA12CA1CA2CA9
SCHEMBL11560271 0.75 CA12 (0.52) CA12CA1CA2CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HRH2 526/4885CA12 4539/4885CA1 1424/4885

“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.