SCHEMBL5115009

SCHEMBL5115009

O=C(NCCC1CCCCC1)c1cc(-c2ccccc2C(=O)O)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.63
CHRM1 P11229 5/20 0.55
BRS3 P32247 1/20 0.47
CHRM4 P08173 4/20 0.45
CHRM2 P08172 2/20 0.45
CHRM3 P20309 2/20 0.45
CHRM5 P08912 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PPARG P37231 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
IL1B P01584 1/20 0.43
PTGER1 P34995 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
SCHEMBL5119224 0.89 P2RX7 (0.66) P2RX7CHRM1CHRM4CHRM2CHRM3
SCHEMBL5111387 0.89 P2RX7 (0.66) P2RX7CHRM1CHRM4CHRM2CHRM3
SCHEMBL5114810 0.85 P2RX7 (0.57) P2RX7CHRM1CHRM4MEN1KMT2A
SCHEMBL5120264 0.82 P2RX7 (0.65) P2RX7CHRM1CHRM4CHRM2CHRM3
SCHEMBL5120267 0.82 P2RX7 (0.65) P2RX7CHRM1CHRM4CHRM2CHRM3
SCHEMBL5120270 0.82 P2RX7 (0.65) P2RX7CHRM1CHRM4CHRM2CHRM3
SCHEMBL5115561 0.82 P2RX7 (0.45) P2RX7CHRM1CHRM4MEN1KMT2A
SCHEMBL3455872 0.81 RAB9A (0.55) P2RX7CHRM1SMN1; SMN2IL1B
SCHEMBL5110613 0.81 P2RX7 (0.44) P2RX7MEN1KMT2A
SCHEMBL5118090 0.79 P2RX7 (0.67) P2RX7LMNA

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-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US disclosed
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 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 (2 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 243/4885BRS3 167/4885
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 P2RX7 679/4885CHRM1 1070/4885BRS3 390/4885

“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.