SCHEMBL1748649

SCHEMBL1748649

CCOc1cc(CN2CCC(Nc3nc(Cl)ncc3OC)CC2)cc(OCC)c1N

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 17/20 0.54
HRH1 P35367 5/20 0.49
SSTR1 P30872 2/20 0.49
NSD2 O96028 3/20 0.48
HTR2B P41595 2/20 0.47
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
SCHEMBL1748754 0.92 SSTR5 (0.52) SSTR5HRH1SSTR1NSD2HTR2B
SCHEMBL1748680 0.90 SSTR5 (0.54) SSTR5HRH1NSD2HTR2BKCNH2
SCHEMBL1748484 0.90 SSTR5 (0.49) SSTR5HRH1SSTR1NSD2HTR2B
SCHEMBL1748351 0.89 SSTR5 (0.62) SSTR5HRH1HTR2BKCNH2
SCHEMBL1748550 0.88 NSD2 (0.46) SSTR5HRH1NSD2HTR2B
SCHEMBL1748637 0.88 SSTR5 (0.59) SSTR5HRH1SSTR1HTR2BKCNH2
SCHEMBL1748501 0.87 SSTR5 (0.50) SSTR5HRH1NSD2HTR2BKCNH2
SCHEMBL1748353 0.87 SSTR5 (0.56) SSTR5HRH1HTR2BKCNH2
SCHEMBL1748411 0.87 SSTR5 (0.56) SSTR5HRH1SSTR1HTR2BKCNH2
SCHEMBL1748223 0.86 SSTR5 (0.57) 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 158/4885SSTR1 4/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R SSTR5 1/4885HRH1 158/4885SSTR1 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.