SCHEMBL1748883

SCHEMBL1748883

CCOc1cc(CN2CCC(Nc3ccnc(Cl)n3)CC2)cc(OCOC)c1I

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
BACE1 P56817 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
SSTR5 P35346 17/20 0.44
HRH1 P35367 3/20 0.44
HTR2B P41595 2/20 0.44
SSTR1 P30872 1/20 0.43

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
SCHEMBL1748517 0.84 SSTR5 (0.44) SSTR5HRH1HTR2BSSTR1
SCHEMBL1748328 0.83 SSTR5 (0.62) ACHEBACE1SSTR5HRH1HTR2B
SCHEMBL1748425 0.83 SSTR5 (0.61) ACHEHRH3SSTR5HRH1HTR2B
SCHEMBL1748560 0.82 SSTR5 (0.59) HRH3SSTR5HRH1HTR2B
SCHEMBL1748675 0.82 SSTR5 (0.59) ACHEHRH3SSTR5HRH1HTR2B
SCHEMBL1748294 0.82 HRH3 (0.53) ACHEBACE1HRH3SSTR5HRH1
SCHEMBL1748442 0.81 SSTR5 (0.60) ACHEHRH3SSTR5HRH1HTR2B
SCHEMBL3787544 0.81 SSTR5 (0.45) ACHEBACE1SSTR5HRH1HTR2B
SCHEMBL1748388 0.79 SSTR5 (0.51) ACHEHRH3SSTR5HRH1HTR2B
SCHEMBL2425347 0.79 SSTR5 (0.47) SSTR5

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 5 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
US-20080045550-A1 Pyrimidine and quinazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 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 (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 ACHE 2765/4885BACE1 2179/4885HRH3 241/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R ACHE 2765/4885BACE1 2179/4885HRH3 241/4885

“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.