SCHEMBL5115561

SCHEMBL5115561

O=C(NCCC1CCCCC1)c1cc(-c2ncc(Cl)cc2C(=O)O)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.45
CNR1 P21554 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SCD O00767 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
SCHEMBL5118249 0.90 P2RX7 (0.55) P2RX7CNR1MEN1KMT2ACHRM1
SCHEMBL5115009 0.82 P2RX7 (0.63) P2RX7MEN1KMT2ACHRM4CHRM1
SCHEMBL5114810 0.80 P2RX7 (0.57) P2RX7MEN1KMT2ACHRM4CHRM1
SCHEMBL5119318 0.79 P2RX7 (0.70) P2RX7
SCHEMBL5110613 0.78 P2RX7 (0.44) P2RX7MEN1KMT2A
SCHEMBL5111947 0.77 ALDH1A1 (0.56)
SCHEMBL4880689 0.77 P2RX7 (0.67) P2RX7
SCHEMBL27698865 0.74 P2RX7 (0.53) P2RX7CNR1MEN1KMT2ACHRM4
SCHEMBL5119633 0.72 P2RX7 (0.84) P2RX7MEN1KMT2ACHRM4CHRM1
SCHEMBL27719341 0.72 P2RX7 (0.47) P2RX7CNR1MEN1KMT2A

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 4/4885CNR1 41/4885MEN1 3555/4885

“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.