SCHEMBL5016473

SCHEMBL5016473

COC[C@H]1CCCN1NC1=NC(=O)C(C(C)C)S1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
HDAC1 Q13547 1/20 0.31
ADORA2A P29274 4/20 0.31
ADORA1 P30542 4/20 0.31
CASP3 P42574 1/20 0.30
CASP7 P55210 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
SCHEMBL5023662 1.00 HDAC8 (0.31) HDAC8HDAC6HRH3HDAC1ADORA2A
SCHEMBL14365491 0.73
SCHEMBL1605358 0.72
SCHEMBL10249613 0.71 HDAC8 (0.30) HDAC8HDAC6HDAC1
SCHEMBL14440597 0.71 HDAC8 (0.30) HDAC8HDAC6HDAC1
SCHEMBL1606082 0.70
SCHEMBL1606160 0.67 SMN1; SMN2 (0.37)
SCHEMBL1386152 0.65 FYN (0.35)
SCHEMBL8981701 0.64 HDAC8 (0.38) HDAC8HDAC6HDAC1CASP3
SCHEMBL8981710 0.64 HDAC8 (0.38) HDAC8HDAC6HDAC1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807700-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN INC. (US) 2010-10-05 US disclosed
EP-1753736-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC (US) 2008-12-17 EP disclosed
US-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2008-02-21 US disclosed
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 AMGEN INC. 2007-12-06 US disclosed
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 AMGEN INC. 2007-12-06 US disclosed
US-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 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 (2 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-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 HDAC8 1228/4885HDAC6 987/4885HRH3 1268/4885
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 HSD11B1, HSD3B1, HSD17B1 HDAC8 1154/4885HDAC6 1240/4885HRH3 1209/4885

“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.