Butobendine

Butobendine

SCHEMBL2457604

CC[C@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)N(C)CCN(C)[C@@H](CC)COC(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.55
SCN2A Q99250 1/20 0.55
SCN3A Q9NY46 1/20 0.55
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
PMP22 Q01453 1/20 0.51
NR1I2 O75469 1/20 0.47
CHRM2 P08172 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADRA2B P18089 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
CHRNA4 P43681 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
Butobendine SCHEMBL309587 1.00 SCN1A (0.55) SCN1ASCN2ASCN3ACYP3A4CYP2D6
Butobendine SCHEMBL1649028 0.99 SCN1A (0.54) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL9910014 0.77 SLC29A1 (0.56) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL11848930 0.76 SLC29A1 (0.55) SCN1ASCN2ASCN3ACYP3A4CYP2D6
Ethyltrimethoxy Benzoate SCHEMBL4410910 0.75 KMT2A (0.66) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL2612552 0.75 SLC29A1 (0.54) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL28969683 0.75 SLC29A1 (0.54) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL2612567 0.75 PTPN1 (0.68) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL10428055 0.74 SLC29A1 (0.59) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL13183860 0.73 TSHR (0.54) SCN1ASCN2ASCN3ACYP3A4CYP2D6

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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF SCN1A 755/4885SCN2A 1235/4885SCN3A 530/4885

“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.