SCHEMBL3599343

SCHEMBL3599343

CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3cnn(COc4cc(Cl)ccc4Cl)c3)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
NAMPT P43490 7/20 0.42
SCD O00767 1/20 0.42
SCD5 Q86SK9 1/20 0.42
TMPRSS2 O15393 2/20 0.41
MAPT P10636 2/20 0.40
PLA2G1B P04054 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
NR1H2 P55055 1/20 0.39
NR3C1 P04150 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ACACB O00763 1/20 0.38
ABCB1 P08183 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL3601198 0.94 ESR2 (0.46) ESR2SMN1; SMN2NAMPTSCDSCD5
SCHEMBL3611560 0.89 MAPT (0.47) ESR2SMN1; SMN2NAMPTSCDSCD5
SCHEMBL3610635 0.88 NAMPT (0.48) ESR2SMN1; SMN2NAMPTSCDSCD5
SCHEMBL3602942 0.88 MEN1 (0.51) ESR2SMN1; SMN2NAMPTSCDSCD5
SCHEMBL3599020 0.86 SMN1; SMN2 (0.57) ESR2SMN1; SMN2NAMPTSCDSCD5
SCHEMBL3593773 0.84 PTGER1 (0.54) ESR2SMN1; SMN2NAMPTSCDSCD5
SCHEMBL3596504 0.84 SMN1; SMN2 (0.57) ESR2SMN1; SMN2NAMPTSCDSCD5
SCHEMBL3601224 0.84 SCD5 (0.51) ESR2SMN1; SMN2NAMPTSCDSCD5
SCHEMBL3605404 0.83 NAMPT (0.63) ESR2SMN1; SMN2NAMPTSCDSCD5
SCHEMBL3603596 0.81 SCD (0.53) ESR2SMN1; SMN2NAMPTSCDSCD5

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 ESR2 3025/4885SMN1; SMN2 618/4885NAMPT 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.