SCHEMBL3466936

SCHEMBL3466936

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.34
C3AR1 Q16581 1/20 0.33
EGLN1 Q9GZT9 3/20 0.32
VEGFA P15692 1/20 0.32
FLT1 P17948 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
APEX1 P27695 1/20 0.32
BMP1 P13497 1/20 0.32
SCN9A Q15858 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
SCHEMBL568902 0.86 C3AR1 (0.36) C3AR1EGLN1APEX1BMP1
SCHEMBL3464044 0.86 C3AR1 (0.36) C3AR1BMP1
SCHEMBL568551 0.80 CTSK (0.39) C3AR1EGLN1BMP1
SCHEMBL3466899 0.75 BMP1 (0.42) C3AR1BMP1
SCHEMBL15296574 0.62 HDAC4 (0.37) HDAC4EGLN1VEGFAFLT1EGLN3
SCHEMBL15296631 0.62 EGLN1 (0.40) HDAC4EGLN1VEGFAFLT1EGLN3
SCHEMBL8514003 0.60 C3AR1 (0.33) C3AR1
SCHEMBL353753 0.60 PLK1 (0.38)
SCHEMBL21976902 0.59 PPARG (0.30)
SCHEMBL4015651 0.58 HDAC7 (0.52) HDAC4

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 HDAC4 472/4885C3AR1 44/4885EGLN1 1994/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 HDAC4 2834/4885C3AR1 14/4885EGLN1 1493/4885

“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.