SCHEMBL1878769

SCHEMBL1878769

CCOc1cc(CN2CCC(Nc3ccc(NC(C)=O)nc3)CC2)cc(OCC)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
SSTR5 P35346 8/20 0.47
MCHR1 Q99705 1/20 0.46
ROCK2 O75116 1/20 0.44
HRH1 P35367 2/20 0.44
HTR2B P41595 1/20 0.44
PARP1 P09874 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
FAAH O00519 1/20 0.43
CCR5 P51681 1/20 0.42
ACHE P22303 1/20 0.42
GSK3B P49841 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL1882638 0.89 SSTR5 (0.50) SSTR5ROCK2PARP1PARP2FAAH
SCHEMBL1870807 0.88 SSTR5 (0.51) SSTR5HRH1CCR5
SCHEMBL1881243 0.88 SSTR5 (0.52) SSTR5HRH1CCR5
SCHEMBL1878230 0.88 SSTR5 (0.54) SSTR5ROCK2HRH1CCR5
SCHEMBL1879929 0.88 SSTR5 (0.62) SSTR5
SCHEMBL1874813 0.85 SSTR5 (0.50) SSTR5HRH1CCR5
SCHEMBL1877811 0.84 SSTR5 (0.66) MAPTSSTR5HRH1HTR2BALDH1A1
SCHEMBL1878420 0.84 SSTR5 (0.53) SSTR5HRH1CCR5ALDH1A1
SCHEMBL1873665 0.84 SSTR5 (0.57) SSTR5HRH1HTR2BCCR5ALDH1A1
SCHEMBL1872231 0.84 SSTR5 (0.66) SSTR5

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
US-7939661-B2 Antidiabetic agents; somatostatin receptor subtype 5 modulators; noninsulin dependent diabetes mellitus; side effect reduction; synthesis HOFFMAN-LA ROCHE INC. (US) 2011-05-10 US claimed
CN-101511817-A Pyridine-and quinoline-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-19 CN claimed
US-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-03-13 US claimed
US-7939661-B2 Antidiabetic agents; somatostatin receptor subtype 5 modulators; noninsulin dependent diabetes mellitus; side effect reduction; synthesis HOFFMAN-LA ROCHE INC. (US) 2011-05-10 US disclosed
CN-101511817-A Pyridine-and quinoline-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-19 CN disclosed
US-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-03-13 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-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES SSTR5, SSTR3, NPY5R MAPT 4308/4885SSTR5 1/4885MCHR1 207/4885

“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.