SCHEMBL1748503

SCHEMBL1748503

CCCCOc1cc(CN2CCC(Nc3ccnc(Cl)n3)CC2)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 14/20 0.56
ACHE P22303 3/20 0.55
HRH1 P35367 2/20 0.51
HTR2B P41595 1/20 0.51
EHMT2 Q96KQ7 3/20 0.49
BACE1 P56817 2/20 0.49

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
SCHEMBL1748328 0.92 SSTR5 (0.62) SSTR5ACHEHRH1HTR2BBACE1
SCHEMBL1748514 0.90 SSTR5 (0.56) SSTR5ACHEHRH1HTR2BEHMT2
SCHEMBL1748259 0.88 SSTR5 (0.55) SSTR5ACHEHRH1HTR2BEHMT2
SCHEMBL1748397 0.85 SSTR5 (0.56) SSTR5HRH1HTR2BEHMT2
SCHEMBL1923884 0.85 ACHE (0.54) SSTR5ACHEHRH1HTR2BBACE1
SCHEMBL1748530 0.85 SSTR5 (0.51) SSTR5ACHEHRH1HTR2BEHMT2
SCHEMBL1748518 0.84 SSTR5 (0.60) SSTR5ACHEHRH1HTR2B
SCHEMBL2417184 0.84 SSTR5 (0.54) SSTR5ACHEHRH1HTR2BEHMT2
SCHEMBL1748475 0.83 SSTR5 (0.53) SSTR5HRH1HTR2BEHMT2
SCHEMBL2418681 0.83 SSTR5 (0.64) SSTR5ACHEHRH1HTR2BEHMT2

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 1/4885ACHE 2765/4885HRH1 158/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R SSTR5 1/4885ACHE 2765/4885HRH1 158/4885

“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.