SCHEMBL4782783

SCHEMBL4782783

O=C(O)C=Cc1cccn1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
ADRA1D P25100 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
GAA P10253 1/20 0.45
BRD4 O60885 2/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 2/20 0.43
LMNA P02545 2/20 0.43
TBXAS1 P24557 2/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
USP2 O75604 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
SCHEMBL4782780 1.00 CNR2 (0.48) CNR2ADRA1DCA12CA1CA2
SCHEMBL1608385 0.86 HDAC3 (0.56) CA12CA1CA2CA9HDAC8
SCHEMBL1608387 0.86 HDAC3 (0.56) CA12CA1CA2CA9HDAC8
SCHEMBL1608228 0.85 HDAC1 (0.60) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL1608231 0.85 HDAC1 (0.60) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL4673488 0.84 CA12 (0.48) CNR2ADRA1DCA12CA1CA2
SCHEMBL4673481 0.84 CA12 (0.48) CNR2ADRA1DCA12CA1CA2
SCHEMBL16475182 0.80 HCAR2 (0.41) CA1CA2HDAC8HDAC6SMN1; SMN2
SCHEMBL1608721 0.79 HCAR2 (0.40) CA12CA1CA2CA9HDAC8
SCHEMBL1608722 0.79 HCAR2 (0.40) CA12CA1CA2CA9HDAC8

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 CNR2 89/4885ADRA1D 2719/4885CA12 415/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG CNR2 613/4885ADRA1D 882/4885CA12 597/4885

“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.