SCHEMBL10167172

SCHEMBL10167172

[C-]#[N+]c1ccc([C@]2(NC(=O)OC(C)(C)C)C[C@](C)(O)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.37
AKT1 P31749 2/20 0.33
RORC P51449 1/20 0.33
GAA P10253 1/20 0.32
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
AKT2 P31751 1/20 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
SCHEMBL10226697 0.88 DRD2 (0.35) DRD2AKT1RORCDPP8DPP9
SCHEMBL10167155 0.85 AKT1 (0.40) DRD2AKT1RORCAKT2
SCHEMBL12583791 0.85 DRD2 (0.38) DRD2AKT1RORCAKT2
SCHEMBL10226580 0.84 DRD2 (0.33) DRD2AKT1
SCHEMBL10167174 0.83 NPC1 (0.43) DRD2AKT1RORCGAAAKT2
SCHEMBL15401802 0.83 NPC1 (0.43) DRD2AKT1RORCGAAAKT2
SCHEMBL15401804 0.83 NPC1 (0.43) DRD2AKT1RORCGAAAKT2
SCHEMBL13152804 0.80 PGR (0.39) DRD2
SCHEMBL538971 0.80 PGR (0.39) DRD2
SCHEMBL15276604 0.78 AAK1 (0.47) DRD2RORC

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-8691825-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2014-04-08 US disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 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-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB DRD2 4382/4885AKT1 11/4885RORC 2096/4885

“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.