SCHEMBL4180416

SCHEMBL4180416

CCC(=O)CNC(=O)c1cc(Cl)c(N2CCC(C(=O)OC(C)(C)C)CC2)nc1CN1CCCC1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
P2RX7 Q99572 2/20 0.33
IL1B P01584 1/20 0.33
MAPK1 P28482 3/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
RORC P51449 1/20 0.31
TYRO3 Q06418 4/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
CASK O14936 2/20 0.30
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
NTRK1 P04629 1/20 0.30
MET P08581 1/20 0.30
SELP P16109 1/20 0.30
AXL P30530 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL4170288 0.90 P2RX7 (0.38) P2RX7IL1BMAPK1RORCTYRO3
SCHEMBL4161653 0.88 TNF (0.32) MAPTP2RX7IL1BMAPK1ITGB2
SCHEMBL4165173 0.86 OPRK1 (0.35) MAPTMAPK1RORCALDH1A1MALT1
SCHEMBL4171958 0.86 MAPK1 (0.35) MAPTMAPK1RORCALDH1A1NPC1
SCHEMBL4169013 0.86 RORC (0.34) MAPTMAPK1ITGB2ICAM1ITGAL
SCHEMBL4179105 0.85 P2RY12 (0.34) MAPTMAPK1RORCALDH1A1NPC1
SCHEMBL4892954 0.85 MAPT (0.39) MAPTALDH1A1NPC1KDM4EMEN1
SCHEMBL4805982 0.84 OPRK1 (0.35) MAPTRORCMALT1KMT2A
SCHEMBL4183735 0.84 MAPT (0.33) MAPTMAPK1ITGB2ICAM1ITGAL
SCHEMBL4178703 0.81 ALDH1A1 (0.37) MAPTMAPK1ALDH1A1KDM4EMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018166-A1 New Pyridine Analogues X 161 ASTRAZENECA AB (SE) 2009-01-15 US 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-20090018166-A1 New Pyridine Analogues X 161 P2RY12, P2RY11, P2RY1 MAPT 3645/4885P2RX7 5/4885IL1B 481/4885

“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.