SCHEMBL3598199

SCHEMBL3598199

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.56
SCD O00767 2/20 0.52
SCD5 Q86SK9 1/20 0.52
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
ESR2 Q92731 1/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.46
PLA2G1B P04054 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL3599020 0.93 SMN1; SMN2 (0.57) NAMPTSCDSCD5KDM4ESMN1; SMN2
SCHEMBL3603596 0.93 SCD (0.53) NAMPTSCDSCD5SMN1; SMN2ESR2
SCHEMBL3600477 0.92 NAMPT (0.51) NAMPTSCDSCD5SMN1; SMN2ESR2
SCHEMBL3605783 0.91 NAMPT (0.56) NAMPTSCDSCD5
SCHEMBL3603275 0.91 NAMPT (0.49) NAMPTSCDSCD5MAPK1KDM4E
SCHEMBL3596504 0.90 SMN1; SMN2 (0.57) NAMPTSCDSCD5SMN1; SMN2ESR2
SCHEMBL3615745 0.90 SCD (0.51) NAMPTSCDSCD5SMN1; SMN2ESR2
SCHEMBL3605404 0.88 NAMPT (0.63) NAMPTSCDSCD5KDM4ESMN1; SMN2
SCHEMBL3615748 0.87 SCD (0.53) NAMPTSCDSCD5SMN1; SMN2ESR2
SCHEMBL3603799 0.87 SCD5 (0.51) NAMPTSCDSCD5ESR2ALDH1A1

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.