SCHEMBL3466819

SCHEMBL3466819

CCS(=O)(=O)c1cccc([C@H](C)N)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
PSIP1 O75475 2/20 0.34
IRAK4 Q9NWZ3 3/20 0.33
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
GAA P10253 1/20 0.32
CHRNA7 P36544 1/20 0.31
LOX P28300 1/20 0.31
PTGS2 P35354 1/20 0.30
CASR P41180 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
SCHEMBL3466474 0.85 IRAK4 (0.34) CNR2PSIP1IRAK4JAK1TYK2
SCHEMBL3465644 0.82 LOX (0.41) IRAK4CHRNA7LOX
SCHEMBL3465534 0.82 CHRNA7 (0.38) IRAK4CHRNA7
SCHEMBL522063 0.74 CYP1A2 (0.38) IRAK4
SCHEMBL3928947 0.74 NOS3 (0.43) CNR2PSIP1JAK1TYK2GAA
SCHEMBL12780478 0.72 CCR1 (0.43) PSIP1
SCHEMBL3465578 0.71 LOX (0.41) IRAK4LOX
SCHEMBL3466764 0.71 IRAK4 (0.34) IRAK4CHRNA7LOX
SCHEMBL16234260 0.71 PSIP1 (0.39) PSIP1JAK1TYK2GAA
SCHEMBL7971731 0.71 CYP3A4 (0.41) PSIP1JAK1TYK2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CNR2 54/4885PSIP1 4704/4885IRAK4 548/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CNR2 46/4885PSIP1 3366/4885IRAK4 134/4885

“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.