SCHEMBL1748696

SCHEMBL1748696

CCOc1cc(CN2CCC(Nc3ncnc4cc(Cl)ccc34)CC2)ccc1C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.56
NSD2 O96028 1/20 0.55
CNR1 P21554 7/20 0.53
MCHR1 Q99705 1/20 0.51
CNR2 P34972 3/20 0.49
HTR2B P41595 2/20 0.48
HRH1 P35367 2/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL1748201 0.92 SSTR5 (0.63) SSTR5NSD2CNR1CNR2HTR2B
SCHEMBL1748577 0.91 CNR1 (0.57) SSTR5NSD2CNR1CNR2HTR2B
SCHEMBL1748482 0.91 SSTR5 (0.56) SSTR5NSD2CNR1MCHR1CNR2
SCHEMBL1748454 0.90 SSTR5 (0.69) SSTR5NSD2CNR1CNR2HTR2B
SCHEMBL1748335 0.90 NSD2 (0.58) SSTR5NSD2CNR1CNR2HTR2B
SCHEMBL1748633 0.89 NSD2 (0.57) SSTR5NSD2CNR1CNR2HRH1
SCHEMBL1748930 0.88 NSD2 (0.56) SSTR5NSD2CNR1CNR2HTR2B
SCHEMBL1748437 0.85 NSD2 (0.55) SSTR5NSD2CNR1CNR2HTR2B
SCHEMBL27769533 0.85 NSD2 (0.53) SSTR5NSD2CNR1MCHR1CNR2
SCHEMBL1748513 0.85 NSD2 (0.56) SSTR5NSD2CNR1MCHR1CNR2

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 3810/4885CNR1 70/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R SSTR5 1/4885NSD2 3810/4885CNR1 70/4885

“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.