SCHEMBL3024103

SCHEMBL3024103

COC(=O)c1ccc2c(c1)NC(=O)C2(C)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.46
PIK3CD O00329 4/20 0.45
ALOX5 P09917 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 1/20 0.43
EPHX2 P34913 1/20 0.43
PDK2 Q15119 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 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
SCHEMBL3014576 0.87 PGR (0.50) PGRPIK3CDALOX5EPHX2
SCHEMBL16321516 0.77 MAPK14 (0.53) PGRALOX5LMNAALDH1A1PDK2
SCHEMBL29825095 0.77 MAPK14 (0.53) PGRALOX5LMNAALDH1A1PDK2
SCHEMBL13735589 0.77 PGR (0.65) PGRPIK3CDEPHX2
SCHEMBL7834463 0.75 PGR (0.59) PGRPIK3CDLMNAALDH1A1EPHX2
SCHEMBL24885552 0.73 ALDH1A1 (0.48) ALOX5LMNAALDH1A1PDK2CA1
SCHEMBL31411757 0.72 MAPK14 (0.50) ALOX5LMNAALDH1A1
SCHEMBL19693406 0.72 LMNA (0.49) ALOX5LMNAALDH1A1PDK2CA1
SCHEMBL28038157 0.71 LNPEP (0.40) ALOX5LMNAALDH1A1PDK2CA1
SCHEMBL3021003 0.70 CNR2 (0.66) ALOX5LMNAALDH1A1PDK2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394267-B2 Heterocyclic modulators of cannabinoid receptors THE CLEVELAND CLINIC FOUNDATION (US) 2016-07-19 US disclosed
US-9339486-B2 Heterocyclic modulators of cannabinoid receptors THE CLEVELAND CLINIC FOUNDATION (US) 2016-05-17 US disclosed
US-20150148408-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-05-28 US disclosed
EP-2178371-B1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS UNIV TEXAS (US) 2014-01-01 EP disclosed
US-20130237536-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS THE CLEVELAND CLINIC FOUNDATION (US) 2013-09-12 US disclosed
US-8440832-B2 Heterocyclic modulators of cannabinoid receptors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-14 US disclosed
US-20100204220-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-08-12 US disclosed
EP-2178371-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS Board of Regents, The University of Texas System (US) 2010-04-28 EP disclosed
WO-2009012221-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-01-22 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 (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-20100204220-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 PGR 712/4885PIK3CD 508/4885ALOX5 812/4885
US-20130237536-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 PGR 712/4885PIK3CD 508/4885ALOX5 812/4885
US-20150148408-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 PGR 712/4885PIK3CD 508/4885ALOX5 812/4885

“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.