SCHEMBL4871485

SCHEMBL4871485

O=C(NC1Cc2cc(-c3ccccc3)ncc2NC1=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 9/20 0.50
IDO1 P14902 3/20 0.41
TDO2 P48775 2/20 0.41
CTSL P07711 1/20 0.41
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
CTSK P43235 1/20 0.39
ASAH1 Q13510 1/20 0.39

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
SCHEMBL4867356 0.81 NAAA (0.53) NAAACTSLEPHX1ALDH1A1GAA
SCHEMBL7423681 0.81 NAAA (0.54) NAAAIDO1TDO2CTSLALDH1A1
SCHEMBL4802366 0.81 NAAA (0.52) NAAAIDO1TDO2CTSLALDH1A1
SCHEMBL5105468 0.80 NAAA (0.52) NAAAIDO1TDO2CTSLEPHX1
SCHEMBL4871439 0.78 NAAA (0.43) NAAACTSLEPHX1ALDH1A1
SCHEMBL5180974 0.76 NAAA (0.58) NAAACTSLALDH1A1GAAASAH1
SCHEMBL765661 0.76 NAAA (0.58) NAAACTSLALDH1A1GAAASAH1
SCHEMBL3930648 0.76 NAAA (0.58) NAAACTSLALDH1A1GAAASAH1
SCHEMBL9197959 0.75 NAAA (0.44) NAAAIDO1TDO2CTSLALDH1A1
SCHEMBL17321317 0.75 NAAA (0.52) NAAAIDO1TDO2CTSLALDH1A1

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
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
WO-2006076597-A1 BICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060155126-A1 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 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 (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-20060155126-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 NAAA 240/4885IDO1 2322/4885TDO2 2467/4885

“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.