SCHEMBL5238567

SCHEMBL5238567

Nc1cc(Cl)c(OC(F)(F)F)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.39
GAA P10253 2/20 0.37
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
SLC1A5 Q15758 2/20 0.33
NOTUM Q6P988 2/20 0.33
EPHX1 P07099 1/20 0.32
KMO O15229 2/20 0.31
GRIN2B Q13224 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL1193487 0.84 PGK1 (0.42) PGK1GAAL3MBTL1NPC1SLC1A5
SCHEMBL29770333 0.84 PGK1 (0.42) PGK1GAAL3MBTL1NPC1SLC1A5
SCHEMBL2650312 0.82 L3MBTL1 (0.42) POLBL3MBTL1
SCHEMBL16268733 0.80 PGK1 (0.38) PGK1GAANPC1SLC1A5NOTUM
SCHEMBL2683377 0.78 NPC1 (0.41) PGK1GAAPOLBL3MBTL1NPC1
SCHEMBL19914318 0.78 ALDH1A1 (0.40) PGK1GAANPC1SLC1A5NOTUM
SCHEMBL30038728 0.76 POLB (0.50) POLBL3MBTL1NPC1
SCHEMBL19411031 0.76 POLB (0.50) POLBL3MBTL1NPC1
SCHEMBL8074938 0.76 GAA (0.42) PGK1GAAL3MBTL1NPC1SLC1A5
SCHEMBL21729544 0.76 PDE2A (0.37) POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101238131-A Bridged piperazine and piperidine derivatives as CCR1 antagonists NOVARTIS AG (CH) 2008-08-06 CN disclosed
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 US disclosed
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 US disclosed
US-20070196270-A1 Compounds As Ccri Antagonists HENG RICHARD 2007-08-23 US disclosed
EP-1794164-A2 BRIDGED PIPERAZINE AND PIPERIDINE DERIVATIVES AS CCR1 ANTAGONISTS Novartis AG (CH) 2007-06-13 EP disclosed
WO-2005103054-A2 BRIDGED PIPERAZINE AND PIPERIDINE DERIVATIVES AS CCRI ANTAGONISTS NOVARTIS AG (CH) 2005-11-03 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-20070196270-A1 Compounds As Ccri Antagonists CCR1, CCR10, CCR4 PGK1 3377/4885GAA 2746/4885POLB 3482/4885

“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.