SCHEMBL1748532

SCHEMBL1748532

CCOc1cc(CN2CCC(Nc3ccnc(Cl)n3)CC2)c(Cl)c(OCC)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
SSTR5 P35346 11/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
SSTR1 P30872 1/20 0.42
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
ACHE P22303 4/20 0.39
BACE1 P56817 3/20 0.39
OPRK1 P41145 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL27748276 0.95 HRH3 (0.40) HRH3SSTR5NOS1NOS2SSTR1
SCHEMBL1748294 0.85 HRH3 (0.53) HRH3SSTR5NOS1NOS2SSTR1
SCHEMBL3770676 0.83 SSTR5 (0.44) SSTR5SSTR1HRH1HTR2BACHE
SCHEMBL27769643 0.82 SSTR5 (0.42) SSTR5NOS1NOS2SSTR1HRH1
SCHEMBL1748311 0.82 SSTR5 (0.42) SSTR5NOS1NOS2SSTR1HRH1
SCHEMBL27769644 0.81 SSTR5 (0.43) SSTR5NOS1NOS2SSTR1HRH1
SCHEMBL1748551 0.81 SSTR5 (0.44) SSTR5SSTR1HRH1HTR2B
SCHEMBL1748500 0.81 KMT2A (0.47) SSTR5SSTR1HRH1HTR2BOPRK1
SCHEMBL1748425 0.80 SSTR5 (0.61) HRH3SSTR5SSTR1HRH1HTR2B
SCHEMBL1748560 0.80 SSTR5 (0.59) HRH3SSTR5HRH1HTR2BKDM4E

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 8 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
CN-101479257-A Pyrimidine and quinazoline derivatives HOFFMANN LA ROCHE (CH) 2009-07-08 CN 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 HRH3 241/4885SSTR5 1/4885NOS1 1371/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R HRH3 241/4885SSTR5 1/4885NOS1 1371/4885

“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.