SCHEMBL3934546

SCHEMBL3934546

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.32
RORC P51449 2/20 0.32
NOTUM Q6P988 4/20 0.32
KDM4E B2RXH2 2/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MPL P40238 2/20 0.32
NEK2 P51955 1/20 0.31
RHOA P61586 1/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.31
TNK2 Q07912 1/20 0.31
CNR2 P34972 2/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OGFRL1 Q5TC84 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
SCHEMBL4168805 0.89 RORC (0.32) RORC
SCHEMBL3941725 0.88 P2RY12 (0.39) P2RX7RORCKDM4EUSP2HPGD
SCHEMBL3930122 0.87 P2RY12 (0.42) KDM4EHPGDHSD17B10LMNAHTT
SCHEMBL4164145 0.87 MPL (0.37) P2RX7RORCKDM4EUSP2HPGD
SCHEMBL4177790 0.85 P2RY12 (0.51)
SCHEMBL4172553 0.84 NOTUM (0.36) P2RX7RORCNOTUMKDM4EUSP2
SCHEMBL4165233 0.81 P2RY12 (0.35) MAPK1ALDH1A1
SCHEMBL4742022 0.80 OPRK1 (0.39) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL4741483 0.79 OPRK1 (0.38) P2RX7KDM4EUSP2HPGDNPSR1
SCHEMBL4179105 0.78 P2RY12 (0.34) RORCKDM4EHPGDHSD17B10LMNA

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 P2RX7 5/4885RORC 460/4885NOTUM 4683/4885

“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.