SCHEMBL1950809

SCHEMBL1950809

COC(=O)c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 11/20 0.52
IP6K3 Q96PC2 1/20 0.50
IP6K2 Q9UHH9 1/20 0.50
PKM P14618 1/20 0.46
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
CRBN Q96SW2 1/20 0.41
NR1H2 P55055 6/20 0.40
RXRA P19793 5/20 0.40
NR1H3 Q13133 5/20 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
SCHEMBL29848434 0.89 IP6K1 (0.63) IP6K1IP6K3IP6K2CRBNNR1H2
SCHEMBL1953225 0.89 IP6K1 (0.63) IP6K1IP6K3IP6K2CRBNNR1H2
SCHEMBL29848334 0.85 IP6K1 (0.56) IP6K1IP6K3IP6K2CRBN
SCHEMBL4268007 0.85 ALDH1A1 (0.47) IP6K1IP6K3IP6K2NR1H2RXRA
SCHEMBL4268010 0.85 ALDH1A1 (0.47) IP6K1IP6K3IP6K2NR1H2RXRA
SCHEMBL23648571 0.84 IP6K1 (0.55) IP6K1IP6K3IP6K2
SCHEMBL13310616 0.84 ADRA2B (0.47) IP6K1IP6K3IP6K2PKMCRBN
SCHEMBL4975818 0.84 IP6K1 (0.45) IP6K1IP6K3IP6K2CRBNNR1H2
SCHEMBL30507206 0.84 ADRA2B (0.47) IP6K1IP6K3IP6K2PKMCRBN
SCHEMBL4975823 0.84 IP6K1 (0.45) IP6K1IP6K3IP6K2CRBNNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265588-B1 INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS INC (US) 2013-06-26 EP disclosed
EP-2265588-B1 INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS INC (US) 2013-06-26 EP disclosed
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
US-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 VITAE PHARMACEUTICALS INC. 2011-06-09 US disclosed
US-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 VITAE PHARMACEUTICALS INC. 2011-06-09 US disclosed
EP-2265588-A1 INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1 Vitae Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009108332-A1 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-09-03 WO disclosed
WO-2009108332-A1 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-09-03 WO 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-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 HSD11B1, HSD17B1, HSD3B1 IP6K1 2427/4885IP6K3 3257/4885IP6K2 3500/4885

“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.