SCHEMBL3464044

SCHEMBL3464044

CCC(N)c1nc(C(=O)NC)c(C)o1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 2/20 0.36
BMP1 P13497 1/20 0.33
FBP1 P09467 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 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
SCHEMBL3466936 0.86 HDAC4 (0.34) C3AR1BMP1
SCHEMBL568902 0.82 C3AR1 (0.36) C3AR1BMP1FBP1SMN1; SMN2
SCHEMBL3466899 0.82 BMP1 (0.42) C3AR1BMP1FBP1
SCHEMBL568551 0.81 CTSK (0.39) C3AR1BMP1FBP1
SCHEMBL353753 0.72 PLK1 (0.38) FBP1GAA
SCHEMBL3465422 0.71 HDAC1 (0.40) C3AR1
SCHEMBL423518 0.69 GAA (0.35) FBP1SMN1; SMN2GAA
SCHEMBL3121517 0.68 NR4A2 (0.40) FBP1SMN1; SMN2GAATP53
SCHEMBL3464041 0.67 FBP1 (0.31) FBP1
SCHEMBL8514003 0.66 C3AR1 (0.33) C3AR1

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 C3AR1 44/4885BMP1 2461/4885FBP1 2308/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 C3AR1 14/4885BMP1 1928/4885FBP1 581/4885

“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.