SCHEMBL4164145

SCHEMBL4164145

CCCCC(=O)c1cc(Cl)c(N2CCC(C(=O)O)CC2)nc1CN1CCCC1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.37
S1PR5 Q9H228 4/20 0.36
P2RY12 Q9H244 3/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
NEK2 P51955 1/20 0.33
PLK1 P53350 1/20 0.33
NEK1 Q96PY6 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
HSD11B1 P28845 1/20 0.33
P2RX7 Q99572 1/20 0.33
CNR2 P34972 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL3941725 0.95 P2RY12 (0.39) MPLP2RY12KDM4EUSP2HPGD
SCHEMBL4183735 0.89 MAPT (0.33) MPLP2RY12KDM4EHPGDHSD17B10
SCHEMBL3932846 0.87 P2RY12 (0.48) P2RY12KDM4EHPGDHSD17B10MAPK1
SCHEMBL3934546 0.87 P2RX7 (0.32) MPLKDM4EUSP2HPGDNPSR1
SCHEMBL3942745 0.85 P2RY12 (0.41) P2RY12MAPK1
SCHEMBL4177329 0.85 P2RY12 (0.53) P2RY12MAPK1
SCHEMBL4185978 0.85 P2RY12 (0.56) P2RY12
SCHEMBL4172553 0.85 NOTUM (0.36) MPLKDM4EUSP2HPGDNPSR1
SCHEMBL4742022 0.85 OPRK1 (0.39) P2RY12KDM4EUSP2HPGDNPSR1
SCHEMBL4179105 0.84 P2RY12 (0.34) P2RY12KDM4EHPGDHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009011627-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
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 MPL 45/4885S1PR5 1735/4885P2RY12 1/4885

“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.