SCHEMBL1873744

SCHEMBL1873744

CCOc1cc(CN2CCC(Nc3ccc(N4CCOCC4)nc3)CC2)cc(OCC)c1Br

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 17/20 0.44
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
HRH1 P35367 5/20 0.41
HTR2B P41595 3/20 0.41
SSTR1 P30872 2/20 0.40

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
SCHEMBL1880196 0.91 SSTR5 (0.49) SSTR5ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL1877647 0.91 SSTR5 (0.54) SSTR5HRH1
SCHEMBL1876648 0.91 SSTR5 (0.54) SSTR5ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL1883071 0.89 SSTR5 (0.51) SSTR5ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL1874616 0.88 SSTR5 (0.51) SSTR5ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1877068 0.88 SSTR5 (0.56) SSTR5HRH1HTR2BSSTR1
SCHEMBL1880198 0.88 SSTR5 (0.56) SSTR5ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL1881889 0.88 SSTR5 (0.56) SSTR5HRH1HTR2BSSTR1
SCHEMBL1878098 0.87 SSTR5 (0.54) SSTR5
SCHEMBL1874888 0.85 SSTR5 (0.46) SSTR5ALDH1A1L3MBTL1MAPTKDM4E

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
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
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 1/4885ALDH1A1 1558/4885L3MBTL1 4774/4885

“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.