SCHEMBL16090897

SCHEMBL16090897

CC[C@H]1OC(O)(c2ccc(Br)c(Cc3ccc4c(c3)N(Cc3ccccc3)CCO4)c2)[C@H](C)[C@@H](C)[C@@H]1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SCN9A Q15858 2/20 0.31
HTR1D P28221 1/20 0.31
CYP2D6 P10635 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
SCHEMBL14617885 0.90 SCN9A (0.30) SCN9A
SCHEMBL10177181 0.87
SCHEMBL16090896 0.81 SLC5A2 (0.36) ARCYP2D6
SCHEMBL16090893 0.79 SLC5A2 (0.36)
SCHEMBL10228336 0.79
SCHEMBL1670051 0.79
SCHEMBL14617884 0.76 SLC5A2 (0.33) AR
SCHEMBL10177180 0.75 SLC5A2 (0.33) AR
SCHEMBL1670175 0.75 CYP2D6 (0.39) ARHDAC1HDAC6SCN9ACYP2D6
SCHEMBL18522242 0.74

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-20140274921-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2014-09-18 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-20140274921-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 AR 2450/4885HDAC1 1279/4885HDAC6 636/4885

“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.