SCHEMBL1749133

SCHEMBL1749133

COc1ccc(CN2CCC(Nc3nc(Cl)nc4c3CCC4)CC2)cc1OCCF

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 15/20 0.57
EHMT2 Q96KQ7 2/20 0.49
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
HRH1 P35367 2/20 0.45
HTR2B P41595 1/20 0.45
ACHE P22303 1/20 0.43
APP P05067 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
SCHEMBL1748417 0.92 SSTR5 (0.51) SSTR5EHMT2HRH1HTR2B
SCHEMBL1748491 0.91 SSTR5 (0.57) SSTR5EHMT2HRH1HTR2B
SCHEMBL1748308 0.89 EHMT2 (0.49) SSTR5EHMT2HRH1HTR2BACHE
SCHEMBL1748318 0.85 SSTR5 (0.61) SSTR5DRD2DRD4DRD3HRH1
SCHEMBL1748480 0.85 SSTR5 (0.61) SSTR5DRD2DRD4DRD3HRH1
SCHEMBL1748657 0.83 SSTR5 (0.60) SSTR5EHMT2DRD2DRD4DRD3
SCHEMBL1748477 0.82 SSTR5 (0.55) SSTR5EHMT2HRH1HTR2B
SCHEMBL1748478 0.82 SSTR5 (0.56) SSTR5EHMT2HRH1HTR2B
SCHEMBL1748392 0.82 SSTR5 (0.47) SSTR5EHMT2HRH1HTR2B
SCHEMBL1748301 0.82 SSTR5 (0.62) SSTR5DRD2DRD4DRD3HRH1

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 SSTR5 1/4885EHMT2 4858/4885DRD2 356/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R SSTR5 1/4885EHMT2 4858/4885DRD2 356/4885

“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.