SCHEMBL4499790

SCHEMBL4499790

CCCC(=O)c1cnc(N2CCN(C(=O)O)C(C(C)(C)C)C2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 13/20 0.47
CXCR3 P49682 6/20 0.39
SLC6A7 Q99884 1/20 0.38

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
SCHEMBL5317210 0.88 P2RY12 (0.43) P2RY12
SCHEMBL4098095 0.82 P2RY12 (0.61) P2RY12
SCHEMBL4500021 0.81 CXCR3 (0.43) P2RY12CXCR3
SCHEMBL4518854 0.80 CXCR3 (0.44) P2RY12CXCR3
SCHEMBL4508825 0.78 GRM4 (0.42) CXCR3SLC6A7
SCHEMBL4508778 0.78 NPY2R (0.38) P2RY12CXCR3SLC6A7
SCHEMBL4522607 0.76 CXCR3 (0.44) P2RY12CXCR3SLC6A7
SCHEMBL4105686 0.74 P2RY12 (0.58) P2RY12
SCHEMBL5592425 0.74 P2RY12 (0.54) P2RY12
SCHEMBL15992614 0.74 TRPV1 (0.40) P2RY12CXCR3SLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 P2RY12 1/4885CXCR3 962/4885SLC6A7 3880/4885

“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.