SCHEMBL4871439

SCHEMBL4871439

O=C(NC1Cc2cc(-c3ccccc3)ncc2N(Cc2ccccc2)C1=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.43
XIAP P98170 3/20 0.42
SENP1 Q9P0U3 1/20 0.41
PARP1 P09874 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
PYGL P06737 1/20 0.39
PREP P48147 2/20 0.39
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4870911 0.82 NAAA (0.46) NAAAXIAPSENP1PARP1CTSL
SCHEMBL5114897 0.81 NAAA (0.44) NAAASENP1PARP1CTSLCTSB
SCHEMBL4797980 0.81 PYGL (0.47) NAAAXIAPPARP1CTSLCTSB
SCHEMBL4871485 0.78 NAAA (0.50) NAAACTSLEPHX1ALDH1A1
SCHEMBL4870965 0.78 NPY1R (0.43) XIAPPYGLALDH1A1SMN1; SMN2
SCHEMBL6216047 0.78 SMN1; SMN2 (0.59) NAAAPARP1CTSLCTSBPREP
SCHEMBL3932072 0.78 SMN1; SMN2 (0.59) NAAAPARP1CTSLCTSBPREP
SCHEMBL3932081 0.78 SMN1; SMN2 (0.59) NAAAPARP1CTSLCTSBPREP
SCHEMBL4870896 0.77 AADAT (0.43) ALDH1A1SMN1; SMN2
SCHEMBL7420876 0.72 CA1 (0.49) NAAAPARP1PREP

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 7 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
US-7314882-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US disclosed
US-7314882-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 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 240/4885XIAP 4547/4885SENP1 4633/4885

“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.