SCHEMBL4797980

SCHEMBL4797980

O=C(NC1Cc2cnccc2N(Cc2ccccc2)C1=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.47
NAMPT P43490 1/20 0.44
NAAA Q02083 2/20 0.44
XIAP P98170 5/20 0.44
ROCK2 O75116 1/20 0.43
POLB P06746 1/20 0.42
PARP1 P09874 1/20 0.41
PREP P48147 2/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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) PYGLNAAAXIAPPARP1PREP
SCHEMBL6216047 0.81 SMN1; SMN2 (0.59) NAAAPOLBPARP1PREPALDH1A1
SCHEMBL3932081 0.81 SMN1; SMN2 (0.59) NAAAPOLBPARP1PREPALDH1A1
SCHEMBL3932072 0.81 SMN1; SMN2 (0.59) NAAAPOLBPARP1PREPALDH1A1
SCHEMBL14195877 0.79 NAMPT (0.48) NAMPTNAAAROCK2POLBALDH1A1
SCHEMBL4870911 0.78 NAAA (0.46) NAAAXIAPPARP1PREPALDH1A1
SCHEMBL8342335 0.78 XIAP (0.49) NAAAXIAPPOLBPREPALDH1A1
SCHEMBL4802366 0.77 NAAA (0.52) NAMPTNAAAROCK2POLBALDH1A1
SCHEMBL7420278 0.77 CA1 (0.46) PYGLNAAAPREPALDH1A1GAA
SCHEMBL5114897 0.77 NAAA (0.44) NAAAPARP1PREPALDH1A1GAA

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-7361766-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-22 US disclosed
US-7361766-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-22 US disclosed
US-7361766-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-22 US disclosed
WO-2006076569-A2 BICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060154956-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-20060154956-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, CCKBR PYGL 2944/4885NAMPT 2040/4885NAAA 338/4885

“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.