SCHEMBL6079581

SCHEMBL6079581

COC(=O)N1CCN(c2ccc(C(C)(C)C(=O)N3CC[C@@]4(C3)OC(=O)c3ccccc34)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.46
HSD11B1 P28845 8/20 0.44
CYP2D6 P10635 1/20 0.44
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
USP2 O75604 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
NPY5R Q15761 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL6079968 0.92 PDK2 (0.49) PDK2HSD11B1CYP2D6CYP2C19KMT2A
SCHEMBL6079254 0.91 PDK2 (0.49) PDK2HSD11B1CYP2D6KMT2AALDH1A1
SCHEMBL6079673 0.91 PDK2 (0.49) PDK2HSD11B1CYP2D6NPY5R
SCHEMBL6080112 0.90 HSD11B1 (0.46) PDK2HSD11B1CYP2D6CYP2C19MAPK1
SCHEMBL6080101 0.89 PDK2 (0.43) PDK2HSD11B1CYP2D6NPY5RMAPT
SCHEMBL6079386 0.88 PDK2 (0.47) PDK2HSD11B1CYP2D6NPY5R
SCHEMBL6080216 0.88 HSD11B1 (0.41) PDK2HSD11B1CYP2D6NPY5R
SCHEMBL6080379 0.88 ALDH1A1 (0.46) PDK2HSD11B1CYP2D6CYP3A4CYP2C19
SCHEMBL6080840 0.88 PDK2 (0.46) PDK2HSD11B1CYP2D6NPY5RMAPT
SCHEMBL6080480 0.87 HSD11B1 (0.44) HSD11B1CYP2D6NPY5R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060009471-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-01-12 US claimed
US-20060009471-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-01-12 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-20060009471-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 PDK2 988/4885HSD11B1 1/4885CYP2D6 358/4885

“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.