SCHEMBL1817451

SCHEMBL1817451

O=C(O)c1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.71
RBP4 P02753 1/20 0.56
TTR P02766 1/20 0.56
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL3613970 0.93 SCD (0.74) SCDRBP4TTR
SCHEMBL13547456 0.91 SCD (0.68) SCDRBP4TTRCYP3A4CYP2D6
SCHEMBL3611432 0.86 SCD (0.69) SCDRBP4TTRCYP3A4CYP2D6
SCHEMBL3608227 0.86 SCD (0.72) SCDRBP4TTR
SCHEMBL1819943 0.84 SCD (0.54) SCD
SCHEMBL13547451 0.84 SCD (0.60) SCDCYP3A4CYP2D6
SCHEMBL3609246 0.84 SCD (0.63) SCDRBP4TTR
SCHEMBL13547465 0.83 SCD (0.60) SCDRBP4TTRCYP3A4CYP2D6
SCHEMBL3599769 0.83 SCD (0.60) SCDRBP4TTRCYP3A4CYP2D6
SCHEMBL13547466 0.83 SCD (0.62) SCDRBP4TTR

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-7951805-B2 Heterocyclic derivatives and their use as mediators of stearoyl-CoA desaturase XENON PHARMACEUTICALS INC. (CA) 2011-05-31 US disclosed
US-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase XENON PHARMACEUTICALS INC. (CA) 2007-12-27 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-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase SCD, SCD5, NR1H2 SCD 1/4885RBP4 657/4885TTR 4158/4885

“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.