SCHEMBL417134

SCHEMBL417134

CC1(C)C(=N)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)NO)CC[C@]3(C)CC[C@]21C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B2 P80365 12/20 0.72
HSD11B1 P28845 11/20 0.72
MAPT P10636 3/20 0.68
POLB P06746 1/20 0.68
APEX1 P27695 1/20 0.68
PTPN1 P18031 3/20 0.58
CES2 O00748 3/20 0.58
CES1 P23141 3/20 0.58
CYP3A4 P08684 2/20 0.58
MEN1 O00255 1/20 0.58
AKR1B10 O60218 1/20 0.58
LMNA P02545 1/20 0.58
ALOX5 P09917 1/20 0.58
PRKCH P24723 1/20 0.58
PTPN6 P29350 1/20 0.58
KMT2A Q03164 1/20 0.58
PTPN11 Q06124 1/20 0.58
SLCO1B3 Q9NPD5 1/20 0.58
SLCO1B1 Q9Y6L6 1/20 0.58
TSHR P16473 1/20 0.58

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
SCHEMBL10124431 0.91 HSD11B2 (0.81) HSD11B2HSD11B1MAPTPOLBAPEX1
SCHEMBL421434 0.91 HSD11B2 (0.81) HSD11B2HSD11B1MAPTPOLBAPEX1
SCHEMBL417984 0.91 HSD11B2 (0.73) HSD11B2HSD11B1MAPTPOLBAPEX1
SCHEMBL423197 0.88 HSD11B2 (0.70) HSD11B2HSD11B1MAPTPOLBAPEX1
SCHEMBL419213 0.87 HSD11B2 (0.75) HSD11B2HSD11B1MAPTPOLBAPEX1
SCHEMBL417838 0.86 HSD11B2 (0.83) HSD11B2HSD11B1MAPTPOLBAPEX1
SCHEMBL420233 0.85 HSD11B2 (0.64) HSD11B2HSD11B1MAPTPOLBAPEX1
SCHEMBL1721221 0.85 HSD11B1 (0.76) HSD11B2HSD11B1MAPTPOLBAPEX1
SCHEMBL418162 0.84 HSD11B1 (1.00) HSD11B2HSD11B1MAPTPTPN1CES2
SCHEMBL422120 0.84 HSD11B1 (1.00) HSD11B2HSD11B1MAPTPTPN1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022154-A1 N-HYDROXY C29-AMIDE DERIVATIVES OF OLEANDRANE ONEPHARM RESEARCH & DEVELOPMENT GMBH (AT) 2012-01-26 US claimed
US-8476315-B2 N-hydroxy C29-amide derivatives of oleandrane ONEPHARM RESEARCH & DEVELOPMENT GMBH (AT) 2013-07-02 US disclosed
US-20120022154-A1 N-HYDROXY C29-AMIDE DERIVATIVES OF OLEANDRANE ONEPHARM RESEARCH & DEVELOPMENT GMBH (AT) 2012-01-26 US disclosed
EP-2228380-A1 Novel triterpene derivatives onepharm Research & Development GmbH (AT) 2010-09-15 EP 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-20120022154-A1 N-HYDROXY C29-AMIDE DERIVATIVES OF OLEANDRANE HSD11B1, CYP11B1, HSD11B2 HSD11B2 3/4885HSD11B1 1/4885MAPT 4272/4885

“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.