SCHEMBL3014576

SCHEMBL3014576

CC1(Cc2ccccc2)C(=O)Nc2cc(C(=O)O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.50
PIK3CD O00329 9/20 0.48
EPHX2 P34913 1/20 0.46
PIK3R1 P27986 1/20 0.42
RXRA P19793 2/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ELANE P08246 1/20 0.39
HTT P42858 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39

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
SCHEMBL3024103 0.87 PGR (0.46) PGRPIK3CDEPHX2ALOX5
SCHEMBL13735589 0.81 PGR (0.65) PGRPIK3CDEPHX2PIK3R1
SCHEMBL7834463 0.79 PGR (0.59) PGRPIK3CDEPHX2PIK3R1SMN1; SMN2
SCHEMBL3839942 0.76 MAPK14 (0.57) PGRRXRARXRBRXRGALOX5
SCHEMBL29906734 0.76 MAPK14 (0.57) PGRRXRARXRBRXRGALOX5
SCHEMBL9773675 0.73 POLB (0.44) PGRALOX5SMN1; SMN2HTTRARB
SCHEMBL19410676 0.72 PGR (0.62) PGRPIK3CDEPHX2PIK3R1
SCHEMBL9773670 0.69 HRH3 (0.40) RXRARXRBRXRGSMN1; SMN2RARB
SCHEMBL9773677 0.69 IP6K1 (0.52) RXRAHTT
SCHEMBL9773679 0.69 ALDH1A1 (0.44) RXRARXRBRXRGALOX5SMN1; SMN2

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 11 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
CN-101801187-B Heterocyclic modulators of cannabinoid receptors UNIV TEXAS 2014-07-23 CN 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
CN-101801187-A heterocyclic modulators of cannabinoid receptors UNIV TEXAS 2010-08-11 CN 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 508/4885EPHX2 835/4885
US-20130237536-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 PGR 712/4885PIK3CD 508/4885EPHX2 835/4885
US-20150148408-A1 HETEROCYCLIC MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 PGR 712/4885PIK3CD 508/4885EPHX2 835/4885

“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.