SCHEMBL5111387

SCHEMBL5111387

O=C(NCC1CCCCC1)c1cc(-c2ccccc2C(=O)O)ccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.66
CHRM1 P11229 9/20 0.62
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
CHRM2 P08172 3/20 0.56
CHRM4 P08173 3/20 0.56
CHRM3 P20309 3/20 0.56
CHRM5 P08912 2/20 0.56
PPARG P37231 1/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL5119224 1.00 P2RX7 (0.66) P2RX7CHRM1KMT2AMEN1CHRM2
SCHEMBL5115009 0.89 P2RX7 (0.63) P2RX7CHRM1KMT2AMEN1CHRM2
SCHEMBL5120264 0.88 P2RX7 (0.65) P2RX7CHRM1KMT2AMEN1CHRM2
SCHEMBL5120267 0.88 P2RX7 (0.65) P2RX7CHRM1KMT2AMEN1CHRM2
SCHEMBL5120270 0.88 P2RX7 (0.65) P2RX7CHRM1KMT2AMEN1CHRM2
SCHEMBL5120174 0.87 CHRM1 (0.59) P2RX7CHRM1KMT2ACHRM2CHRM4
SCHEMBL5115577 0.84 P2RX7 (0.69) P2RX7CHRM1KMT2AMEN1CHRM2
SCHEMBL5118249 0.81 P2RX7 (0.55) P2RX7CHRM1KMT2AMEN1NPC1
SCHEMBL5114386 0.81 MEN1 (0.54) P2RX7CHRM1KMT2AMEN1NPC1
SCHEMBL5126889 0.79 P2RX7 (1.00) P2RX7

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 6 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
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 4/4885CHRM1 243/4885KMT2A 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.