SCHEMBL13596184

SCHEMBL13596184

CCCOc1cc2cccnc2c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.54
CCR8 P51685 5/20 0.54
L3MBTL1 Q9Y468 5/20 0.50
TLR8 Q9NR97 1/20 0.47
MAPT P10636 6/20 0.45
KDM4E B2RXH2 5/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.44
MCHR1 Q99705 1/20 0.43
PDE5A O76074 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
NPC1 O15118 3/20 0.43
BRD4 O60885 1/20 0.43
MITF O75030 1/20 0.43
GAA P10253 2/20 0.42
HSP90AA1 P07900 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL3847754 0.90 TLR8 (0.50) CCR1CCR8L3MBTL1TLR8MAPT
SCHEMBL197257 0.80 CCR1 (0.61) CCR1CCR8L3MBTL1MAPTKDM4E
SCHEMBL2484526 0.77 MAPT (0.66) MAPTKDM4ELMNAALDH1A1MCHR1
SCHEMBL18806845 0.76 CCR1 (0.54) CCR1CCR8L3MBTL1MAPTKDM4E
SCHEMBL28267274 0.75 TLR8 (0.53) L3MBTL1TLR8GAAMEN1KMT2A
SCHEMBL13062963 0.73 CCR1 (0.61) CCR1CCR8L3MBTL1MAPTKDM4E
SCHEMBL30062285 0.73 CCR1 (0.51) CCR1CCR8L3MBTL1MAPTKDM4E
SCHEMBL8119162 0.73 CCR1 (0.51) CCR1CCR8L3MBTL1MAPTLMNA
SCHEMBL19733315 0.72 MCHR1 (0.57) MAPTKDM4ELMNAALDH1A1MCHR1
SCHEMBL31026572 0.72 CCR1 (0.54) CCR1CCR8L3MBTL1TLR8MAPT

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
US-20090318667-A1 Peptoid compositions and methods of using the same NEW YORK UNIVERSITY 2009-12-24 US disclosed
WO-2009139922-A2 PEPTOID COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY SCHOOL OF MEDICINE (US) 2009-11-19 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-20090318667-A1 Peptoid compositions and methods of using the same PEPD, NGLY1, ANPEP CCR1 1977/4885CCR8 3644/4885L3MBTL1 4757/4885

“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.