SCHEMBL10163801

SCHEMBL10163801

Cc1noc(C23CCC(CNC(=O)OC(C)(C)C)(CC2)CC3)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.37
HCRTR2 O43614 1/20 0.35
HSD11B1 P28845 1/20 0.34
ACACB O00763 2/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
BRD4 O60885 1/20 0.32
CYP1A2 P05177 1/20 0.32
GFER P55789 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ACACA Q13085 1/20 0.31

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
SCHEMBL29318114 0.78 NR1H4 (0.37) NR1H4
SCHEMBL30892947 0.78 NR1H4 (0.37) NR1H4
SCHEMBL30892954 0.78 SMO (0.37) NR1H4HSD11B1ACACBACACA
SCHEMBL29318336 0.78 SMO (0.37) NR1H4HSD11B1ACACBACACA
SCHEMBL2391681 0.76 KIT (0.43) MEN1KMT2ANPSR1
SCHEMBL22604487 0.72 MEN1 (0.42) HCRTR2MEN1ALDH1A1TSHRKMT2A
SCHEMBL22347606 0.72 HSD11B1 (0.44) NR1H4HSD11B1ADORA1
SCHEMBL8253836 0.72 HCRTR2 (0.42) HCRTR2MEN1ALDH1A1TSHRKMT2A
SCHEMBL8255697 0.72 TDP1 (0.45) HCRTR2MEN1ALDH1A1TSHRKMT2A
SCHEMBL22347720 0.71 NR1H4 (0.42) NR1H4HSD11B1ADORA1

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
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 NR1H4 3276/4885HCRTR2 4014/4885HSD11B1 1268/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 NR1H4 3276/4885HCRTR2 4014/4885HSD11B1 1268/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 NR1H4 3276/4885HCRTR2 4014/4885HSD11B1 1268/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 NR1H4 3276/4885HCRTR2 4014/4885HSD11B1 1268/4885

“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.