SCHEMBL1748427

SCHEMBL1748427

CC(C)(C)OC(=O)N1CCC(Nc2ncnc3[nH]cnc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.58
GPR119 Q8TDV5 3/20 0.58
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CNR1 P21554 2/20 0.50
CNR2 P34972 1/20 0.50
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
ADORA1 P30542 1/20 0.48
PIK3CD O00329 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.47

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
SCHEMBL29230305 0.83 JAK1 (0.61) BTKGPR119IRAK4JAK1
SCHEMBL30945082 0.83 JAK1 (0.61) BTKGPR119IRAK4JAK1
SCHEMBL1031240 0.81 KIT (0.58) BTKGPR119ALDH1A1L3MBTL1CNR1
SCHEMBL30225432 0.81 KIT (0.58) BTKGPR119ALDH1A1L3MBTL1CNR1
SCHEMBL31023436 0.80 BTK (0.50) BTKGPR119ALDH1A1L3MBTL1NPC1
SCHEMBL10137689 0.80 GPR119 (0.56) BTKGPR119ALDH1A1L3MBTL1CNR1
SCHEMBL18557416 0.80 GPR119 (0.56) BTKGPR119ALDH1A1L3MBTL1CNR1
SCHEMBL31023459 0.79 BTK (0.49) BTKGPR119ALDH1A1L3MBTL1CNR1
SCHEMBL31034568 0.79 JAK3 (0.61) BTKJAK1
SCHEMBL12276928 0.79 MEN1 (0.64) BTKGPR119ALDH1A1L3MBTL1CNR1

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 BTK 1616/4885GPR119 37/4885ALDH1A1 2667/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R BTK 1616/4885GPR119 37/4885ALDH1A1 2667/4885

“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.