SCHEMBL1748099

SCHEMBL1748099

CCOc1cc(CN2CCC(c3c(C)nc(N)nc3N)CC2)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 10/20 0.49
HRH1 P35367 2/20 0.49
HTR2B P41595 1/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KCNH2 Q12809 2/20 0.46
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL3774415 0.85 SSTR5 (0.47) SSTR5HRH1HTR2BKCNH2
SCHEMBL1874019 0.82 SSTR5 (0.47) SSTR5HRH1HTR2BALDH1A1MAPT
SCHEMBL3781618 0.81 SSTR5 (0.53) SSTR5HRH1HTR2BALDH1A1NPSR1
Ammonia Solution, Strong SCHEMBL3557314 0.80 SSTR5 (0.51) SSTR5HRH1HTR2BALDH1A1MAPT
SCHEMBL3569284 0.77 SSTR5 (0.53) SSTR5HRH1HTR2BALDH1A1KCNH2
SCHEMBL1748416 0.77 ALDH1A1 (0.58) SSTR5HRH1HTR2BALDH1A1MAPT
SCHEMBL3975986 0.76 ALDH1A1 (0.50) SSTR5HRH1HTR2BALDH1A1MAPT
SCHEMBL1748158 0.75 SSTR5 (0.61) SSTR5HRH1HTR2BKCNH2ACHE
SCHEMBL1880900 0.75 SSTR5 (0.49) SSTR5HRH1HTR2BKMT2ABCHE
SCHEMBL2418407 0.75 SSTR5 (0.53) SSTR5HRH1HTR2BALDH1A1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968568-B2 [1-(4-chloro-3-ethoxy-benzyl)-piperidin-4-yl]-(2-chloro-pyrimidin-4-yl)-amine; somatostatin receptor subtype 5 (SSTR5) antagonists; diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-06-28 US disclosed
EP-2044054-B1 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives CHRIST ANDREAS D 2010-03-18 US disclosed
US-7674804-B2 Pyrimidine and quinazoline derivatives as SST5 modulators HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US disclosed
EP-2044054-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2009-04-08 EP disclosed
US-20080045550-A1 Pyrimidine and quinazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 US disclosed
WO-2008000692-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO 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 (2 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-20100069413-A1 Pyrimidine and Quinazoline Derivatives SSTR5, SSTR3, NPY5R SSTR5 1/4885HRH1 158/4885HTR2B 134/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R SSTR5 1/4885HRH1 158/4885HTR2B 134/4885

“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.