SCHEMBL3603799

SCHEMBL3603799

CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3cnn(Cc4cccc(C(F)(F)F)c4)c3)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 3/20 0.51
SCD O00767 3/20 0.51
NAMPT P43490 5/20 0.49
ABCB1 P08183 1/20 0.46
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ACKR3 P25106 2/20 0.44
ESR2 Q92731 1/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
DDR1 Q08345 3/20 0.42
DDR2 Q16832 3/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
NTRK1 P04629 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42

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
SCHEMBL3602454 0.92 RAF1 (0.47) SCD5SCDNAMPTABCB1RAF1
SCHEMBL3600477 0.92 NAMPT (0.51) SCD5SCDNAMPTABCB1ESR2
SCHEMBL3605783 0.91 NAMPT (0.56) SCD5SCDNAMPT
SCHEMBL3615748 0.90 SCD (0.53) SCD5SCDNAMPTALDH1A1ESR2
SCHEMBL3605404 0.89 NAMPT (0.63) SCD5SCDNAMPTABCB1ALDH1A1
SCHEMBL3602755 0.89 SCD (0.51) SCD5SCDNAMPTABCB1ALDH1A1
SCHEMBL3601422 0.88 RAF1 (0.43) SCD5SCDNAMPTRAF1BRAF
SCHEMBL3616386 0.87 ITK (0.51) SCD5SCDNAMPTALDH1A1ESR2
SCHEMBL3598199 0.87 NAMPT (0.56) SCD5SCDNAMPTALDH1A1ESR2
SCHEMBL3603596 0.86 SCD (0.53) SCD5SCDNAMPTALDH1A1ESR2

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 SCD5 4/4885SCD 2/4885NAMPT 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.