SCHEMBL3099585

SCHEMBL3099585

O=C1OC2(CCNC2)c2ccnc(C(=O)C3(c4ccc(-c5ccc(Cl)cc5)nc4)CC3)c21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.39
CYP2D6 P10635 1/20 0.32
NPY5R Q15761 1/20 0.31
MLNR O43193 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
AKT3 Q9Y243 1/20 0.31
MAPKAPK2 P49137 2/20 0.30

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
SCHEMBL3976276 0.86 HSD11B1 (0.37) HSD11B1
SCHEMBL3970810 0.81 AKT1 (0.32) HSD11B1AKT1
SCHEMBL3970455 0.81 ELOVL1 (0.35) HSD11B1NPY5R
SCHEMBL2973860 0.79 HSD11B1 (0.31) HSD11B1
SCHEMBL3970704 0.78 HSD11B1 (0.33) HSD11B1NPY5R
SCHEMBL3978009 0.78 ELOVL1 (0.33) HSD11B1NPY5R
SCHEMBL3977568 0.78 HSD11B1 (0.33) HSD11B1CYP2D6
SCHEMBL3974626 0.77 HSD11B1 (0.33) HSD11B1
SCHEMBL3977697 0.77 CLK2 (0.35) HSD11B1
SCHEMBL3907137 0.77 PDE2A (0.32)

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-20100256114-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION (US) 2010-10-07 US claimed

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-20100256114-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 HSD11B1 1/4885CYP2D6 358/4885NPY5R 642/4885

“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.