SCHEMBL5111591

SCHEMBL5111591

O=C(NCC1CCCCCC1)c1cc(-c2cccnc2N2CCC(C(=O)O)CC2)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 1.00
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
F10 P00742 1/20 0.44
CHRM1 P11229 2/20 0.44
DYRK1A Q13627 1/20 0.44
NTRK1 P04629 5/20 0.42
MALT1 Q9UDY8 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ELANE P08246 2/20 0.41

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
SCHEMBL5119633 0.92 P2RX7 (0.84) P2RX7MEN1KMT2ACHRM1DYRK1A
SCHEMBL5111601 0.90 P2RX7 (0.81) P2RX7CHRM1DYRK1AMALT1CHRM2
SCHEMBL5118323 0.86 P2RX7 (0.75) P2RX7
SCHEMBL5110946 0.83 P2RX7 (0.70) P2RX7KMT2ADYRK1AMALT1ELANE
SCHEMBL4881090 0.82 P2RX7 (0.70) P2RX7
SCHEMBL5115577 0.82 P2RX7 (0.69) P2RX7MEN1KMT2ACHRM1NTRK1
SCHEMBL5120285 0.77 P2RX7 (0.62) P2RX7DYRK1AMALT1ELANE
SCHEMBL5111387 0.76 P2RX7 (0.66) P2RX7MEN1KMT2ACHRM1CHRM2
SCHEMBL5119224 0.76 P2RX7 (0.66) P2RX7MEN1KMT2ACHRM1CHRM2
SCHEMBL4881893 0.75 P2RX7 (0.60) P2RX7DYRK1A

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 4/4885MEN1 3555/4885KMT2A 3400/4885

“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.