SCHEMBL475352

SCHEMBL475352

CC(C)(O)COCc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
TACR1 P25103 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PTGS2 P35354 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
IL1B P01584 1/20 0.33
PIEZO1 Q92508 1/20 0.32
SLC6A4 P31645 2/20 0.32
SRD5A2 P31213 1/20 0.32
HTR2A P28223 1/20 0.32
KCNH2 Q12809 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL1600320 0.83 IDO1 (0.36) IDO1TACR1HDAC3HDAC1HDAC2
SCHEMBL475161 0.79 ALDH1A1 (0.48) SRD5A2
SCHEMBL500140 0.79 IDO1 (0.40) IDO1TACR1CYP3A4CYP2D6HDAC3
SCHEMBL30448393 0.78 IDO1 (0.44) IDO1CYP3A4CYP2D6HDAC3HDAC1
SCHEMBL20191008 0.78 IDO1 (0.44) IDO1CYP3A4CYP2D6HDAC3HDAC1
SCHEMBL475163 0.77 CFTR (0.53) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL26918172 0.75 IDO1 (0.39) IDO1TACR1PIEZO1SLC6A4SRD5A2
SCHEMBL1600324 0.73 IDO1 (0.41) IDO1TACR1CYP3A4CYP2D6HDAC3
SCHEMBL285799 0.73 MCHR1 (0.45) PTGS2HDAC3HDAC6IL1BMEN1
SCHEMBL142651 0.72 KLF10 (0.40) IDO1CYP3A4CYP2D6PIEZO1TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411370-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBVIE INC (US) 2015-04-22 EP disclosed
US-8288428-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-10-16 US disclosed
EP-2411370-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2012-02-01 EP disclosed
US-20100249087-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
WO-2010111573-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 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 (1 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-20100249087-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 IDO1 2288/4885TACR1 50/4885CYP3A4 985/4885

“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.