SCHEMBL4599604

SCHEMBL4599604

Cc1cc(OCc2cncc(-c3cccc(Cl)c3)c2)ccc1CCCCn1ccnn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.38
FFAR1 O14842 4/20 0.37
CYP11B1 P15538 5/20 0.35
CYP11B2 P19099 5/20 0.35
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
P2RX7 Q99572 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
CYP19A1 P11511 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ERBB2 P04626 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL4592031 0.91 PPARD (0.38) FFAR1CYP11B1CYP11B2ATP4AATP4B
SCHEMBL4600209 0.83 PRMT6 (0.41) FFAR1CYP11B1CYP11B2ATP4AATP4B
SCHEMBL4599523 0.83 ERBB2 (0.45) FFAR1CYP11B1CYP11B2ERBB2MINK1
SCHEMBL4592884 0.83 FFAR1 (0.38) FFAR1ATP4AATP4BPOLBMAPT
SCHEMBL4599923 0.79 ATP4A (0.37) CYP11B1ATP4AATP4BMAPTERBB2
SCHEMBL4600302 0.78 ERBB2 (0.42) CYP11B1CYP11B2ATP4AATP4BERBB2
SCHEMBL4599334 0.77 ATP4A (0.38) FFAR1ATP4AATP4BMAPTERBB2
SCHEMBL4600742 0.76 ERBB2 (0.41) FFAR1ATP4AATP4BGRIN1GRIN2B
SCHEMBL4599860 0.75 ATP4A (0.37) FFAR1ATP4AATP4BMAPTERBB2
SCHEMBL4600170 0.74 ERBB2 (0.46) FFAR1CYP11B1CYP11B2ATP4AATP4B

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 GRM5 601/4885FFAR1 2770/4885CYP11B1 127/4885

“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.