SCHEMBL1748840

SCHEMBL1748840

CC(C)Oc1cc(CN2CCC(Nc3nc(Cl)nc(Cl)c3Cl)CC2)cc(OC(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.55
ACHE P22303 3/20 0.41
MCHR1 Q99705 4/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NSD2 O96028 5/20 0.38
DNMT3A Q9Y6K1 2/20 0.37
KCNH2 Q12809 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37

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
SCHEMBL1748584 0.83 SSTR5 (0.51) SSTR5ACHEMCHR1ALDH1A1NSD2
SCHEMBL1748534 0.83 SSTR5 (0.56) SSTR5ACHEMCHR1ALDH1A1
SCHEMBL1748641 0.83 SSTR5 (0.52) SSTR5ACHEMCHR1NSD2EHMT2
SCHEMBL1748322 0.82 SSTR5 (0.52) SSTR5MCHR1NSD2DNMT3AEHMT2
SCHEMBL1748553 0.82 SSTR5 (0.46) SSTR5ACHEALDH1A1
SCHEMBL1748527 0.82 EHMT2 (0.63) NSD2DNMT3AEHMT2
SCHEMBL1748820 0.81 SSTR5 (0.55) SSTR5ACHEMCHR1ALDH1A1
SCHEMBL1748306 0.80 SSTR5 (0.53) SSTR5
SCHEMBL1748221 0.80 SSTR5 (0.51) SSTR5ACHEMCHR1NSD2
SCHEMBL1748228 0.78 SSTR5 (0.56) SSTR5ACHE

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 1/4885ACHE 2765/4885MCHR1 274/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R SSTR5 1/4885ACHE 2765/4885MCHR1 274/4885

“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.