SCHEMBL1748547

SCHEMBL1748547

C=CCOc1cc(CN2CCC(Nc3nc(Cl)ncc3OC)CC2)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 15/20 0.51
HRH1 P35367 3/20 0.49
HTR2B P41595 1/20 0.49
APP P05067 1/20 0.48
ACHE P22303 1/20 0.47
NSD2 O96028 2/20 0.45
KCNH2 Q12809 2/20 0.44
KDM1A O60341 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
RCOR1 Q9UKL0 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
SCHEMBL1748365 0.92 SSTR5 (0.49) SSTR5HRH1HTR2BAPPACHE
SCHEMBL1748351 0.90 SSTR5 (0.62) SSTR5HRH1HTR2BKCNH2
SCHEMBL1748397 0.87 SSTR5 (0.56) SSTR5HRH1HTR2BEHMT2
SCHEMBL1748480 0.87 SSTR5 (0.61) SSTR5HRH1HTR2BAPPACHE
SCHEMBL1748308 0.85 EHMT2 (0.49) SSTR5HRH1HTR2BAPPACHE
SCHEMBL1748492 0.84 SSTR5 (0.51) SSTR5HRH1HTR2BAPPACHE
SCHEMBL1748637 0.83 SSTR5 (0.59) SSTR5HRH1HTR2BKCNH2
SCHEMBL1748465 0.83 SSTR5 (0.55) SSTR5HRH1HTR2BKCNH2
SCHEMBL1748562 0.83 SSTR5 (0.50) SSTR5HRH1HTR2BAPPACHE
SCHEMBL1748200 0.83 SSTR5 (0.60) SSTR5HRH1HTR2BKCNH2

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.