SCHEMBL5407592

SCHEMBL5407592

NC(=CC(=O)OCCC(c1ccccc1)c1ccccc1)COCCC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CHRM4 P08173 2/20 0.44
GRIN2B Q13224 9/20 0.43
HTT P42858 1/20 0.43
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
FAAH O00519 1/20 0.42
CYP3A4 P08684 3/20 0.41
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
TGM1 P22735 1/20 0.40
PDE4B Q07343 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 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
SCHEMBL5415161 0.83 HTT (0.49) SMN1; SMN2CYP2C19NPC1RAB9ACHRM4
SCHEMBL5407046 0.73 SMN1; SMN2 (0.35) SMN1; SMN2CYP2C19CYP2D6NPSR1
SCHEMBL5407039 0.73 SMN1; SMN2 (0.35) SMN1; SMN2CYP2C19CYP2D6NPSR1
SCHEMBL7375294 0.73 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19NPC1RAB9ACHRM4
SCHEMBL7370753 0.73 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19NPC1RAB9ACHRM4
SCHEMBL7369584 0.73 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19NPC1RAB9ACHRM4
SCHEMBL15140566 0.73 SMN1; SMN2 (0.72) SMN1; SMN2CYP2C19NPC1RAB9ACHRM4
SCHEMBL7291714 0.72 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9ACHRM4
SCHEMBL29384528 0.72 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19NPC1RAB9ACHRM4
SCHEMBL8553423 0.72 SMN1; SMN2 (0.68) SMN1; SMN2CYP2C19NPC1RAB9ACHRM4

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 SMN1; SMN2 331/4885CYP2C19 2829/4885NPC1 429/4885

“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.