SCHEMBL1748210

SCHEMBL1748210

CCOc1ccccc1Oc1c(Cl)ncnc1NC1CCN(Cc2cc(OC(C)C)cc(OC(C)C)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 11/20 0.49
NSD2 O96028 1/20 0.45
MEN1 O00255 2/20 0.43
HRH1 P35367 3/20 0.41
HTR2B P41595 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
NOD2 Q9HC29 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SSTR1 P30872 1/20 0.39
GMNN O75496 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL1748519 0.93 NSD2 (0.52) SSTR5NSD2MEN1SMN1; SMN2RAB9A
SCHEMBL1748205 0.91 SSTR5 (0.50) SSTR5NSD2MEN1SMN1; SMN2RAB9A
SCHEMBL1748536 0.89 SSTR5 (0.53) SSTR5NSD2MEN1SMN1; SMN2RAB9A
SCHEMBL1748423 0.85 MEN1 (0.48) SSTR5NSD2MEN1SMN1; SMN2RAB9A
SCHEMBL1748569 0.80 NSD2 (0.51) SSTR5NSD2MEN1SMN1; SMN2RAB9A
SCHEMBL1748221 0.80 SSTR5 (0.51) SSTR5NSD2MEN1SMN1; SMN2RAB9A
SCHEMBL1748386 0.76 SSTR5 (0.48) SSTR5NSD2MEN1SMN1; SMN2RAB9A
SCHEMBL1748544 0.75 NSD2 (0.55) SSTR5NSD2MEN1KMT2AALDH1A1
SCHEMBL1748444 0.73 GRIN2B (0.53) SSTR5CYP2D6
SCHEMBL1748840 0.72 SSTR5 (0.55) SSTR5NSD2ALDH1A1DRD2DRD4

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 7 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
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 SSTR5 1/4885NSD2 3810/4885MEN1 1238/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R SSTR5 1/4885NSD2 3810/4885MEN1 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.