SCHEMBL1875784

SCHEMBL1875784

CCCOc1cc(CN2CCC(Nc3ccc(NC(C)=O)nc3)CC2)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 13/20 0.58
HRH1 P35367 3/20 0.49
SSTR1 P30872 1/20 0.49
JAK1 P23458 1/20 0.47
JAK3 P52333 1/20 0.47
HTR2B P41595 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCR5 P51681 1/20 0.45
GALR3 O60755 1/20 0.45
RAB9A P51151 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL1877811 0.93 SSTR5 (0.66) SSTR5HRH1SSTR1HTR2BALDH1A1
SCHEMBL1875202 0.89 SSTR5 (0.55) SSTR5HRH1SSTR1JAK1JAK3
SCHEMBL1872164 0.88 SSTR5 (0.54) SSTR5HRH1SSTR1JAK1JAK3
SCHEMBL1874927 0.87 SSTR5 (0.54) SSTR5HRH1SSTR1JAK1JAK3
SCHEMBL2421933 0.83 SSTR5 (0.57) SSTR5HRH1JAK1JAK3HTR2B
SCHEMBL1870624 0.83 SSTR5 (0.54) SSTR5HRH1SSTR1HTR2BALDH1A1
SCHEMBL1876441 0.83 SSTR5 (0.54) SSTR5HRH1SSTR1HTR2BALDH1A1
SCHEMBL1873665 0.83 SSTR5 (0.57) SSTR5HRH1SSTR1HTR2BALDH1A1
SCHEMBL1878420 0.83 SSTR5 (0.53) SSTR5HRH1SSTR1ALDH1A1CCR5
SCHEMBL1875100 0.83 SSTR5 (0.54) SSTR5HRH1SSTR1HTR2BALDH1A1

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 4 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
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 1/4885HRH1 97/4885SSTR1 4/4885

“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.