SCHEMBL5115577

SCHEMBL5115577

O=C(NCC1CCCCCC1)c1cc(-c2cccnc2C(=O)O)ccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.69
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CHRM1 P11229 3/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
ASPH Q12797 1/20 0.45
KDM8 Q8N371 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM3 P20309 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
NTRK1 P04629 2/20 0.43
PDPK1 O15530 1/20 0.43

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
SCHEMBL5114810 0.90 P2RX7 (0.57) P2RX7MEN1KMT2ACHRM1CHRM4
SCHEMBL5119224 0.84 P2RX7 (0.66) P2RX7MEN1KMT2ACHRM1NPC1
SCHEMBL5111387 0.84 P2RX7 (0.66) P2RX7MEN1KMT2ACHRM1NPC1
SCHEMBL5111591 0.82 P2RX7 (1.00) P2RX7MEN1KMT2ACHRM1NPC1
SCHEMBL5111394 0.81 P2RX7 (0.73) P2RX7
SCHEMBL5114386 0.81 MEN1 (0.54) P2RX7MEN1KMT2ACHRM1NPC1
SCHEMBL27698865 0.80 P2RX7 (0.53) P2RX7MEN1KMT2ACHRM1CNR1
SCHEMBL5118249 0.79 P2RX7 (0.55) P2RX7MEN1KMT2ACHRM1NPC1
SCHEMBL4875200 0.78 P2RX7 (0.66) P2RX7
SCHEMBL4876545 0.78 ALDH1A1 (0.51) MEN1KMT2AKDM4EALDH1A1GAA

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.