SCHEMBL1874019

SCHEMBL1874019

CCOc1cc(CN2CCC(c3c(N)cnc(N)c3C)CC2)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 10/20 0.47
HRH1 P35367 2/20 0.47
HTR2B P41595 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNH2 Q12809 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 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
SCHEMBL1880900 0.92 SSTR5 (0.49) SSTR5HRH1HTR2BKMT2ABCHE
SCHEMBL1870157 0.90 TLR9 (0.42) SSTR5HRH1HTR2BALDH1A1KDM4E
SCHEMBL1874337 0.90 SSTR5 (0.49) SSTR5KDM4EKMT2ANPSR1BCHE
SCHEMBL1882261 0.89 BCHE (0.41) SSTR5HRH1HTR2BKMT2ABCHE
SCHEMBL1876358 0.89 SSTR5 (0.41) SSTR5HRH1HTR2BALDH1A1KDM4E
SCHEMBL1874533 0.89 CCR5 (0.42) SSTR5ALDH1A1KDM4EKMT2AMAPT
SCHEMBL1875582 0.88 SSTR5 (0.47) SSTR5HRH1ALDH1A1KDM4EKCNH2
SCHEMBL1873520 0.88 SSTR5 (0.51) SSTR5HRH1HTR2BALDH1A1KDM4E
SCHEMBL1878189 0.88 SSTR5 (0.48) SSTR5KMT2ABCHEACHE
SCHEMBL1877332 0.85 SSTR5 (0.48) SSTR5KCNH2

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 8 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
EP-2066658-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-06-10 EP claimed
WO-2008031735-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 WO 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
EP-2066658-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-06-10 EP disclosed
WO-2008031735-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 WO 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 1/4885HRH1 97/4885HTR2B 103/4885

“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.