SCHEMBL5111601

SCHEMBL5111601

Cc1ccc(-c2cccnc2N2CCC(C(=O)O)CC2)cc1C(=O)NCC1CCCCCC1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.81
ELANE P08246 7/20 0.47
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
DYRK1A Q13627 1/20 0.44
GAA P10253 1/20 0.43
KIT P10721 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
MAPK14 Q16539 3/20 0.41
RAF1 P04049 1/20 0.41
HSPB1 P04792 1/20 0.41
LYN P07948 1/20 0.41
PPARG P37231 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 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
SCHEMBL5111591 0.90 P2RX7 (1.00) P2RX7ELANECHRM2CHRM4CHRM5
SCHEMBL4884041 0.82 P2RX7 (0.57) P2RX7ELANEDYRK1AMALT1
SCHEMBL5221250 0.81 P2RX7 (0.56) P2RX7ELANEDYRK1AMALT1CYP3A4
SCHEMBL5119633 0.81 P2RX7 (0.84) P2RX7CHRM4CHRM5CHRM1CHRM3
SCHEMBL5120174 0.76 CHRM1 (0.59) P2RX7CHRM2CHRM4CHRM5CHRM1
SCHEMBL5118323 0.76 P2RX7 (0.75) P2RX7
SCHEMBL5110946 0.74 P2RX7 (0.70) P2RX7ELANEDYRK1AMALT1CYP3A4
SCHEMBL1727773 0.73 P2RX7 (0.54) P2RX7MALT1
SCHEMBL4881090 0.72 P2RX7 (0.70) P2RX7
SCHEMBL1727778 0.72 P2RX7 (0.53) P2RX7CHRM3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US claimed
EP-1844003-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR AstraZeneca AB (SE) 2007-10-17 EP claimed
WO-2006080884-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR ASTRAZENECA AB (SE) 2006-08-03 WO claimed
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US disclosed
EP-1844003-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR AstraZeneca AB (SE) 2007-10-17 EP disclosed
WO-2006080884-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR ASTRAZENECA AB (SE) 2006-08-03 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 (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-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor P2RX2, P2RX1, ADORA1 P2RX7 4/4885ELANE 3578/4885CHRM2 212/4885

“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.