SCHEMBL3608816

SCHEMBL3608816

CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cnn(Cc4ccccc4)c3)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.55
SCD5 Q86SK9 2/20 0.55
NAMPT P43490 5/20 0.52
TMPRSS2 O15393 4/20 0.48
ESR2 Q92731 1/20 0.48
ALDH1A1 P00352 2/20 0.46
RPS6KA3 P51812 2/20 0.46
RPS6KA2 Q15349 1/20 0.46
RPS6KA1 Q15418 1/20 0.46
RPS6KA6 Q9UK32 1/20 0.46
NR1H2 P55055 1/20 0.45
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
LMNA P02545 1/20 0.44
RIPK1 Q13546 1/20 0.43

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
SCHEMBL3603275 0.92 NAMPT (0.49) SCDSCD5NAMPTTMPRSS2ESR2
SCHEMBL3606619 0.90 TMPRSS2 (0.49) SCDSCD5NAMPTTMPRSS2ESR2
SCHEMBL3602454 0.90 RAF1 (0.47) SCDSCD5NAMPTESR2NR1H2
SCHEMBL3596141 0.87 TMPRSS2 (0.47) SCDSCD5NAMPTTMPRSS2ESR2
SCHEMBL3605404 0.84 NAMPT (0.63) SCDSCD5NAMPTESR2ALDH1A1
SCHEMBL3599020 0.83 SMN1; SMN2 (0.57) SCDSCD5NAMPTTMPRSS2ESR2
SCHEMBL3603596 0.83 SCD (0.53) SCDSCD5NAMPTTMPRSS2ESR2
SCHEMBL3615748 0.83 SCD (0.53) SCDSCD5NAMPTESR2ALDH1A1
SCHEMBL3598199 0.83 NAMPT (0.56) SCDSCD5NAMPTESR2ALDH1A1
SCHEMBL3605783 0.82 NAMPT (0.56) SCDSCD5NAMPT

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-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 SCD 2/4885SCD5 4/4885NAMPT 869/4885

“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.