SCHEMBL1748582

SCHEMBL1748582

CCOc1cc(CN2CCC(Nc3nc(Cl)nc4c3CCC4)CC2)cc(OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 4/20 0.49
ACHE P22303 3/20 0.44
MEN1 O00255 2/20 0.44
SSTR5 P35346 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
DNMT3A Q9Y6K1 3/20 0.42
NSD2 O96028 2/20 0.42
MCHR1 Q99705 1/20 0.41
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NOD2 Q9HC29 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL1748421 0.92 EHMT2 (0.45) EHMT2ACHEMEN1SSTR5HRH1
SCHEMBL1748524 0.81 SSTR5 (0.52) EHMT2SSTR5HRH1HTR2B
SCHEMBL1748584 0.81 SSTR5 (0.51) EHMT2ACHEMEN1SSTR5NSD2
SCHEMBL1748478 0.80 SSTR5 (0.56) EHMT2SSTR5HRH1HTR2B
SCHEMBL1748383 0.80 SSTR5 (0.48) EHMT2SSTR5HRH1HTR2B
SCHEMBL1748275 0.80 EHMT2 (0.41) EHMT2MEN1SSTR5HRH1HTR2B
SCHEMBL1748398 0.80 SSTR5 (0.54) EHMT2SSTR5HRH1HTR2B
SCHEMBL1748477 0.79 SSTR5 (0.55) EHMT2SSTR5HRH1HTR2B
SCHEMBL1748491 0.79 SSTR5 (0.57) EHMT2SSTR5HRH1HTR2B
SCHEMBL1748618 0.77 SSTR5 (0.45) EHMT2ACHEMEN1SSTR5NSD2

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 EHMT2 4858/4885ACHE 2765/4885MEN1 1238/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R EHMT2 4858/4885ACHE 2765/4885MEN1 1238/4885

“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.