SCHEMBL1876358

SCHEMBL1876358

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 13/20 0.41
SSTR3 P32745 1/20 0.39
KCNH2 Q12809 1/20 0.39
CCR5 P51681 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH1 P35367 2/20 0.38
HTR2B P41595 1/20 0.38
SSTR1 P30872 1/20 0.37
MAP3K12 Q12852 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL1870157 0.92 TLR9 (0.42) SSTR5SSTR3KCNH2CCR5KDM4E
SCHEMBL1874019 0.89 SSTR5 (0.47) SSTR5KCNH2KDM4EALDH1A1HRH1
SCHEMBL1875582 0.87 SSTR5 (0.47) SSTR5SSTR3KCNH2CCR5KDM4E
SCHEMBL1873520 0.85 SSTR5 (0.51) SSTR5SSTR3KCNH2CCR5KDM4E
SCHEMBL1877332 0.84 SSTR5 (0.48) SSTR5SSTR3KCNH2CCR5
SCHEMBL1874533 0.81 CCR5 (0.42) SSTR5CCR5KDM4EALDH1A1ALOX15
SCHEMBL1880900 0.81 SSTR5 (0.49) SSTR5HRH1HTR2BMAPK1
SCHEMBL1874337 0.81 SSTR5 (0.49) SSTR5KDM4EMAPK1
SCHEMBL1876242 0.80 DHFR (0.48) SSTR5SSTR3KCNH2CCR5HRH1
SCHEMBL1876526 0.80 SSTR5 (0.62) SSTR5SSTR3KCNH2

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 1/4885SSTR3 2/4885KCNH2 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.