SCHEMBL282980

SCHEMBL282980

CC(C)(O)COc1ccc(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
CYP2C19 P33261 1/20 0.50
MRGPRX4 Q96LA9 6/20 0.48
SCN9A Q15858 1/20 0.46
TAS2R14 Q9NYV8 2/20 0.45
MCHR1 Q99705 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44

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
SCHEMBL17723380 0.89 CNR2 (0.50) CNR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18963341 0.87 CNR2 (0.49) CNR2ALDH1A1CYP2C19MRGPRX4SCN9A
SCHEMBL284392 0.86 CFTR (0.52) CNR2KDM4EALDH1A1HPGDCYP2C19
SCHEMBL477612 0.84 CYP2C19 (0.59) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL285799 0.81 MCHR1 (0.45) CNR2ALDH1A1HSD17B10CYP2C19MCHR1
SCHEMBL28793248 0.81 MCHR1 (0.44) CNR2KDM4EALDH1A1MRGPRX4MCHR1
SCHEMBL345774 0.79 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL7336593 0.78 ALDH1A1 (0.52) KDM4EALDH1A1HPGDHSD17B10USP2
Hydrochloric Acid SCHEMBL10978991 0.77 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL4200632 0.77 LRRK2 (0.63) KDM4EALDH1A1MRGPRX4RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428507-B1 Cannabinoid receptor ligands ABBVIE BAHAMAS LTD (BS) 2015-10-21 EP disclosed
EP-2896615-A1 Cannabinoid receptor ligands AbbVie Bahamas Limited (BS) 2015-07-22 EP disclosed
US-8859596-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-14 US disclosed
US-8188135-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
EP-2428507-A2 Cannabinoid receptor ligands Abbott Laboratories (US) 2012-03-14 EP disclosed
CN-102216277-A Substituted benzamides as cannabinoid receptor ligands ABBOTT LAB 2011-10-12 CN disclosed
EP-2334646-A2 SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-06-22 EP disclosed
WO-2010033543-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-25 WO disclosed
US-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 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-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R CNR2 2/4885KDM4E 1649/4885ALDH1A1 1940/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R CNR2 2/4885KDM4E 1649/4885ALDH1A1 1940/4885

“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.