SCHEMBL284392

SCHEMBL284392

COC(=O)c1cc(C(F)(F)F)ccc1OCC(C)(C)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.52
CNR2 P34972 6/20 0.48
MRGPRX4 Q96LA9 2/20 0.48
MCHR1 Q99705 4/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
ESRRA P11474 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43

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 0.86 CNR2 (0.50) CNR2MCHR1CYP1A2CYP2C9HDAC3
SCHEMBL282980 0.86 CNR2 (0.50) CNR2MRGPRX4MCHR1ALDH1A1CYP2C19
SCHEMBL18963341 0.85 CNR2 (0.49) CNR2MRGPRX4MCHR1CYP1A2CYP2C9
SCHEMBL25336183 0.82 CFTR (0.54) CFTRMRGPRX4CYP1A2CYP2C9ALDH1A1
SCHEMBL4070406 0.81 CFTR (0.62) CFTRMRGPRX4ALDH1A1KDM4EHPGD
SCHEMBL22175851 0.78 KDM4E (0.51) CFTRMRGPRX4CYP1A2CYP2C9ALDH1A1
SCHEMBL27781533 0.77 KDM4E (0.60) CFTRMRGPRX4CYP1A2CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL22164233 0.77 KDM4E (0.50) CFTRMRGPRX4CYP1A2CYP2C9ALDH1A1
SCHEMBL475163 0.76 CFTR (0.53) CFTRMRGPRX4HDAC3HDAC6ALDH1A1
SCHEMBL284138 0.76 CFTR (0.64) CFTRMRGPRX4ALDH1A1CYP2C19KDM4E

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
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
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-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
US-20100069348-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 CFTR 1700/4885CNR2 2/4885MRGPRX4 28/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R CFTR 1700/4885CNR2 2/4885MRGPRX4 28/4885

“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.