SCHEMBL13301276

SCHEMBL13301276

COc1cc(Br)c2c(c1O)C13CCNC(C2)C1CC(OC)C(=O)C3

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
SLC22A1 O15245 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12646370 0.83 GAA (0.46) GAASLC22A1CYP3A4CYP2D6TSHR
SCHEMBL6123801 0.83 GAA (0.46) GAASLC22A1CYP3A4CYP2D6TSHR
SCHEMBL10033223 0.83 GAA (0.46) GAASLC22A1CYP3A4CYP2D6TSHR
SCHEMBL4122808 0.82 GAA (0.46) GAACYP3A4CYP2D6LMNAMAPT
SCHEMBL13301282 0.82 GAA (0.46) GAACYP3A4CYP2D6LMNAMAPT
SCHEMBL12960706 0.81 GAA (0.47) GAASLC22A1CYP3A4CYP2D6TSHR
SCHEMBL12006858 0.81 GAA (0.47) GAASLC22A1CYP3A4CYP2D6TSHR
SCHEMBL4127868 0.81 GAA (0.47) GAASLC22A1CYP3A4CYP2D6TSHR
SCHEMBL12013632 0.81 GAA (0.47) GAASLC22A1CYP3A4CYP2D6TSHR
SCHEMBL11497217 0.80 OPRM1 (0.35) GAASLC22A1CYP3A4CYP2D6TSHR

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-8367827-B2 Process for preparing hydrocodone using a super acid MALLINCKRODT LLC (US) 2013-02-05 US disclosed
US-20100137598-A1 Process for Preparing Hydrocodone Using a Super Acid MALLINCKRODT INC. (US) 2010-06-03 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-20100137598-A1 Process for Preparing Hydrocodone Using a Super Acid HAAO, CYP7A1, CYP3A5 GAA 1908/4885SLC22A1 3095/4885CYP3A4 16/4885

“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.