SCHEMBL3600477

SCHEMBL3600477

CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.51
SCD O00767 2/20 0.51
SCD5 Q86SK9 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
ESR2 Q92731 1/20 0.46
CYP1A2 P05177 2/20 0.45
MAPT P10636 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
PLA2G1B P04054 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
ABCB1 P08183 1/20 0.45
RORC P51449 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 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
SCHEMBL3598199 0.92 NAMPT (0.56) NAMPTSCDSCD5SMN1; SMN2ESR2
SCHEMBL3603799 0.92 SCD5 (0.51) NAMPTSCDSCD5ESR2ABCB1
SCHEMBL3599020 0.91 SMN1; SMN2 (0.57) NAMPTSCDSCD5SMN1; SMN2ESR2
SCHEMBL3603596 0.91 SCD (0.53) NAMPTSCDSCD5SMN1; SMN2ESR2
SCHEMBL3596504 0.89 SMN1; SMN2 (0.57) NAMPTSCDSCD5SMN1; SMN2ESR2
SCHEMBL3615745 0.89 SCD (0.51) NAMPTSCDSCD5SMN1; SMN2ESR2
SCHEMBL3605783 0.87 NAMPT (0.56) NAMPTSCDSCD5
SCHEMBL3605404 0.87 NAMPT (0.63) NAMPTSCDSCD5SMN1; SMN2ESR2
SCHEMBL3615748 0.86 SCD (0.53) NAMPTSCDSCD5SMN1; SMN2ESR2
SCHEMBL3602755 0.84 SCD (0.51) NAMPTSCDSCD5SMN1; SMN2ESR2

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 NAMPT 869/4885SCD 2/4885SCD5 4/4885

“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.