SCHEMBL1870807

SCHEMBL1870807

CCOc1cc(CN2CCC(Nc3ccc(NC(C)=O)nc3)CC2)cc(OCC)c1Br

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 19/20 0.51
CCR5 P51681 1/20 0.44
KCNH2 Q12809 2/20 0.44
SSTR1 P30872 2/20 0.44
HRH1 P35367 1/20 0.43

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
SCHEMBL1881243 0.91 SSTR5 (0.52) SSTR5CCR5KCNH2SSTR1HRH1
SCHEMBL1879929 0.91 SSTR5 (0.62) SSTR5KCNH2
SCHEMBL1878230 0.91 SSTR5 (0.54) SSTR5CCR5KCNH2SSTR1HRH1
SCHEMBL1878769 0.88 MAPT (0.48) SSTR5CCR5HRH1
SCHEMBL1874813 0.88 SSTR5 (0.50) SSTR5CCR5KCNH2SSTR1HRH1
SCHEMBL1873665 0.88 SSTR5 (0.57) SSTR5CCR5KCNH2SSTR1HRH1
SCHEMBL1878420 0.88 SSTR5 (0.53) SSTR5CCR5KCNH2SSTR1HRH1
SCHEMBL1877811 0.88 SSTR5 (0.66) SSTR5KCNH2SSTR1HRH1
SCHEMBL1872231 0.87 SSTR5 (0.66) SSTR5KCNH2
SCHEMBL1870624 0.85 SSTR5 (0.54) SSTR5CCR5SSTR1HRH1

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 SSTR5 1/4885CCR5 312/4885KCNH2 1096/4885

“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.