SCHEMBL285799

SCHEMBL285799

CC(C)(O)COc1ccc(C(F)(F)F)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.45
HDAC3 O15379 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
IL1B P01584 1/20 0.42
VDR P11473 2/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SSTR4 P31391 1/20 0.41
CNR2 P34972 2/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 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
SCHEMBL8161648 0.85 ALDH1A1 (0.44) ALDH1A1L3MBTL1MEN1NPC1HTT
SCHEMBL1345830 0.81 PKM (0.55) MCHR1HDAC3HDAC6VDRALDH1A1
SCHEMBL282980 0.81 CNR2 (0.50) MCHR1ALDH1A1CNR2HSD17B10CYP2C19
SCHEMBL1440131 0.80 CYP1A2 (0.54) ALDH1A1L3MBTL1MEN1NPC1HTT
SCHEMBL17723380 0.78 CNR2 (0.50) MCHR1HDAC3HDAC6ALDH1A1CNR2
SCHEMBL11835026 0.77 L3MBTL1 (0.46) ALDH1A1L3MBTL1MEN1NPC1HTT
SCHEMBL18963341 0.77 CNR2 (0.49) MCHR1HDAC3HDAC6ALDH1A1CNR2
SCHEMBL18586262 0.76 F2 (0.43) ALDH1A1L3MBTL1MEN1NPC1HTT
SCHEMBL1950970 0.76 ALDH1A1 (0.48) ALDH1A1L3MBTL1MEN1NPC1HTT
SCHEMBL284392 0.76 CFTR (0.52) MCHR1HDAC3HDAC6ALDH1A1HTT

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
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
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 MCHR1 171/4885HDAC3 1514/4885HDAC6 2218/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R MCHR1 171/4885HDAC3 1514/4885HDAC6 2218/4885

“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.