SCHEMBL4787267

SCHEMBL4787267

COc1ccc(Cn2nc(N)c3cc(OC)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.52
CNR2 P34972 2/20 0.52
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
HTR6 P50406 1/20 0.46
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALOX15 P16050 2/20 0.43
PTGER4 P35408 1/20 0.42
MEN1 O00255 1/20 0.42
PDE8B O95263 2/20 0.42
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41

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
SCHEMBL19793130 0.86 CNR2 (0.66) CNR1CNR2HTR6ALDH1A1HTT
SCHEMBL8448659 0.83 CNR1 (0.52) CNR1CNR2MAPTKMT2AHTR6
SCHEMBL17205820 0.81 KMT2A (0.46) CNR1CNR2MAPTKMT2APOLB
SCHEMBL29670185 0.81 CNR1 (0.45) CNR1CNR2MAPTKMT2APOLB
SCHEMBL24484019 0.81 CNR1 (0.45) CNR1CNR2MAPTKMT2APOLB
SCHEMBL1163076 0.80 CNR1 (0.49) CNR1CNR2MAPTKMT2AHTR6
SCHEMBL4935801 0.80 CNR1 (0.43) CNR1CNR2MAPTKMT2AALDH1A1
SCHEMBL22889950 0.78 CNR1 (0.47) CNR1CNR2MAPTKMT2AHTR6
SCHEMBL8310091 0.77 MAPT (0.46) CNR1CNR2MAPTKMT2APOLB
SCHEMBL8448874 0.77 MAPT (0.49) CNR1CNR2MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 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 (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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 CNR1 247/4885CNR2 89/4885MAPT 1069/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG CNR1 890/4885CNR2 613/4885MAPT 2635/4885

“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.