SCHEMBL4592884

SCHEMBL4592884

Cc1cc(OCc2cccc(-c3cccc(Cl)c3)n2)ccc1CCCCn1ccnn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.38
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
ERBB2 P04626 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.33
TLR8 Q9NR97 1/20 0.32
CCR1 P32246 1/20 0.32
CCR2 P41597 1/20 0.32
CCR4 P51679 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
CXCR1 P25024 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 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
SCHEMBL4599334 0.92 ATP4A (0.38) FFAR1ATP4AATP4BERBB2MINK1
SCHEMBL4600629 0.85 ERBB2 (0.48) FFAR1ATP4AATP4BERBB2MINK1
SCHEMBL4600359 0.85 PPARD (0.42) FFAR1ATP4AATP4BERBB2MINK1
SCHEMBL4599604 0.83 GRM5 (0.38) FFAR1ATP4AATP4BERBB2MINK1
SCHEMBL4599860 0.80 ATP4A (0.37) FFAR1ATP4AATP4BERBB2MINK1
SCHEMBL4600066 0.78 ERBB2 (0.41) FFAR1ATP4AATP4BERBB2MINK1
SCHEMBL4599167 0.78 ERBB2 (0.47) FFAR1ATP4AATP4BERBB2MINK1
SCHEMBL4600317 0.77 DYRK1A (0.38) FFAR1ATP4AATP4BERBB2MINK1
SCHEMBL4780947 0.76 ATP4A (0.34) ATP4AATP4BERBB2MINK1PPARG
SCHEMBL4599923 0.76 ATP4A (0.37) ATP4AATP4BERBB2MINK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429605-B2 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US claimed
CN-101213186-A Phenylpyridine derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-07-02 CN claimed
EP-1912969-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-23 EP claimed
WO-2007017169-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO claimed
US-20070032530-A1 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. 2007-02-08 US claimed
US-7429605-B2 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
CN-101213186-A Phenylpyridine derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-07-02 CN disclosed
EP-1912969-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-23 EP disclosed
WO-2007017169-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
US-20070032530-A1 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. 2007-02-08 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 (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-20070032530-A1 Phenylpyridine derivatives CYP3A5, QDPR, DPYD FFAR1 2770/4885ATP4A 583/4885ATP4B 688/4885

“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.