SCHEMBL5114897

SCHEMBL5114897

O=C(NC1Cc2nc(-c3ccccc3)ccc2N(Cc2ccccc2)C1=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.44
SENP1 Q9P0U3 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
PARP1 P09874 1/20 0.41
PREP P48147 2/20 0.40
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CASP3 P42574 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL4871439 0.81 NAAA (0.43) NAAASENP1CTSLCTSBPARP1
SCHEMBL3932081 0.79 SMN1; SMN2 (0.59) NAAACTSLCTSBPARP1PREP
SCHEMBL6216047 0.79 SMN1; SMN2 (0.59) NAAACTSLCTSBPARP1PREP
SCHEMBL3932072 0.79 SMN1; SMN2 (0.59) NAAACTSLCTSBPARP1PREP
SCHEMBL5105468 0.77 NAAA (0.52) NAAACTSLEPHX1ALDH1A1GAA
SCHEMBL5109209 0.77 NPY1R (0.41) ALDH1A1MEN1KMT2A
SCHEMBL5108528 0.77 NPY1R (0.41) ALDH1A1MEN1KMT2A
SCHEMBL4797980 0.77 PYGL (0.47) NAAACTSLCTSBPARP1PREP
SCHEMBL5104953 0.76 AADAT (0.47) ALDH1A1GAAMEN1KMT2A
SCHEMBL4870911 0.74 NAAA (0.46) NAAASENP1CTSLCTSBPARP1

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-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
US-7314882-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US disclosed
WO-2006076598-A2 BICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060154955-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-20060154955-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 NAAA 478/4885SENP1 4691/4885CTSL 4030/4885

“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.