SCHEMBL1748311

SCHEMBL1748311

CCOc1cc(CN2CCC(Nc3cc(C(=O)OC)nc(Cl)n3)CC2)c(Cl)c(OCC)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 13/20 0.42
SSTR1 P30872 2/20 0.42
NOS1 P29475 3/20 0.38
NOS2 P35228 3/20 0.38
MCHR1 Q99705 1/20 0.37
HRH1 P35367 2/20 0.36
HTR2B P41595 1/20 0.36
NOS3 P29474 1/20 0.36
OPRK1 P41145 1/20 0.35
CNR1 P21554 1/20 0.35
KCNH2 Q12809 1/20 0.35
CCR1 P32246 1/20 0.35
CCR3 P51677 1/20 0.35

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
SCHEMBL1748525 0.87 MCHR1 (0.46) SSTR5SSTR1NOS1NOS2MCHR1
SCHEMBL27769643 0.86 SSTR5 (0.42) SSTR5SSTR1NOS1NOS2MCHR1
SCHEMBL27769644 0.85 SSTR5 (0.43) SSTR5SSTR1NOS1NOS2MCHR1
SCHEMBL1748902 0.82 SSTR5 (0.47) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL1748740 0.82 SSTR5 (0.53) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL1748532 0.82 HRH3 (0.44) SSTR5SSTR1NOS1NOS2HRH1
SCHEMBL1748563 0.82 SSTR5 (0.57) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL1748579 0.81 SSTR5 (0.57) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL1748583 0.81 SSTR5 (0.53) SSTR5SSTR1HRH1HTR2B
SCHEMBL1748191 0.80 SSTR5 (0.54) SSTR5SSTR1HRH1HTR2BKCNH2

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 1/4885SSTR1 4/4885NOS1 1371/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R SSTR5 1/4885SSTR1 4/4885NOS1 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.