SCHEMBL2017354

SCHEMBL2017354

Cn1ncc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1OCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.53
FAAH O00519 8/20 0.53
CNR1 P21554 2/20 0.53
CASR P41180 4/20 0.48
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
FKBP1A P62942 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL13766918 0.90 CNR2 (0.63) CNR2FAAHCNR1CASRPOLB
SCHEMBL12576479 0.83 EPHX2 (0.52) CNR2CNR1EPHX2HTT
SCHEMBL13766703 0.82 POLB (0.52) CNR2FAAHCNR1CASRPOLB
SCHEMBL20108738 0.81 CNR1 (0.40) CNR2CNR1NPC1RAB9AEPHX2
SCHEMBL14098589 0.79 CNR2 (0.50) CNR2FAAHCNR1CASRPOLB
SCHEMBL8122848 0.79 CNR2 (0.52) CNR2FAAHCNR1MEN1KMT2A
SCHEMBL13766922 0.78 EPHX2 (0.54) CNR2CNR1EPHX2HTT
SCHEMBL13766923 0.77 EPHX2 (0.51) CNR2CNR1EPHX2HTT
SCHEMBL13766740 0.77 CNR2 (0.54) CNR2FAAHCNR1CASREPHX2
SCHEMBL1407002 0.77 EPHX1 (0.52) CNR2FAAHCNR1CASRPOLB

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-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
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 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 (3 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 CNR2 1324/4885FAAH 1998/4885CNR1 970/4885
US-20180117065-A1 PHARMACEUTICAL COMPOSITIONS FOR COMBINATION THERAPY GPR119, FABP1, SLC10A1 CNR2 1215/4885FAAH 3010/4885CNR1 965/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 CNR2 2776/4885FAAH 264/4885CNR1 1935/4885

“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.