SCHEMBL20108779

SCHEMBL20108779

CC1CC2CC(C1)CC(NC(=O)c1cnn(C(C)(C)C)c1-n1cccn1)C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.38
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
EGLN1 Q9GZT9 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HCRTR1 O43613 3/20 0.33
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1407021 0.85 HSD11B1 (0.54) HSD11B1CNR2CNR1
SCHEMBL20108780 0.80 POLB (0.45) KDM4EHSD17B10CNR2CNR1ALDH1A1
SCHEMBL12809751 0.79 HSD11B1 (0.39) HSD11B1KDM4EHSD17B10HCRTR1ALDH1A1
SCHEMBL12809588 0.79 HSD11B1 (0.39) HSD11B1KDM4EHSD17B10HCRTR1ALDH1A1
SCHEMBL13294003 0.77 HSD11B1 (0.59) HSD11B1
SCHEMBL4720680 0.77 HSD11B1 (0.59) HSD11B1
SCHEMBL13294019 0.75 HSD11B1 (0.44) HSD11B1
SCHEMBL3291161 0.74 LMNA (0.41) KDM4EEGLN1HCRTR1NPC1RAB9A
SCHEMBL13310658 0.74 HCRTR1 (0.34) HSD11B1EGLN1HCRTR1
SCHEMBL14413253 0.73 HSD11B1 (0.43) HSD11B1HCRTR1

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-10894054-B2 FXR agonist compositions for combination therapy INTERCEPT PHARMACEUTICALS, INC. (US) 2021-01-19 US disclosed
US-20180117065-A1 PHARMACEUTICAL COMPOSITIONS FOR COMBINATION THERAPY INTERCEPT PHARMACEUTICALS, INC. 2018-05-03 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-10894054-B2 FXR agonist compositions for combination therapy GPR119, FXR1, NR1H4 HSD11B1 241/4885KDM4E 4672/4885HSD17B10 337/4885
US-20180117065-A1 PHARMACEUTICAL COMPOSITIONS FOR COMBINATION THERAPY GPR119, FABP1, SLC10A1 HSD11B1 214/4885KDM4E 4738/4885HSD17B10 310/4885

“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.