SCHEMBL6093404

SCHEMBL6093404

Cc1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1C(=O)N1CC[C@@]2(C1)OC(=O)c1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.47
NAMPT P43490 1/20 0.43
HSD11B1 P28845 11/20 0.41
GRM5 P41594 3/20 0.40
GRM1 Q13255 3/20 0.40
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
CYP2D6 P10635 1/20 0.39
AVPR1A P37288 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL6093401 1.00 PDK4 (0.47) PDK4NAMPTHSD11B1GRM5GRM1
SCHEMBL6092726 0.94 PDK4 (0.47) PDK4NAMPTHSD11B1GRM5GRM1
SCHEMBL6094854 0.91 HSD11B1 (0.42) NAMPTHSD11B1CYP2D6AVPR1A
SCHEMBL6094853 0.91 HSD11B1 (0.42) NAMPTHSD11B1CYP2D6AVPR1A
SCHEMBL6093241 0.90 PDK4 (0.47) PDK4NAMPTHSD11B1GRM5GRM1
SCHEMBL6090129 0.89 PDK4 (0.52) PDK4NAMPTHSD11B1GRM5GRM1
SCHEMBL6092435 0.89 HSD11B1 (0.44) HSD11B1CYP2D6AVPR1A
SCHEMBL6092918 0.85 HSD11B1 (0.42) NAMPTHSD11B1CYP2D6AVPR1A
SCHEMBL13606705 0.82 PDK2 (0.51) NAMPTHSD11B1CYP2D6AVPR1A
SCHEMBL6094326 0.81 HSD11B1 (0.44) HSD11B1CYP2D6AVPR1A

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-20060122210-A1 Inhibitors of 11-beta hydroxyl steroid dehydrogenase type I and methods of using the same INCYTE CORPORATION 2006-06-08 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-20060122210-A1 Inhibitors of 11-beta hydroxyl steroid dehydrogenase type I and methods of using the same HSD11B1, HSD11B2, HSD17B1 PDK4 578/4885NAMPT 1191/4885HSD11B1 1/4885

“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.