SCHEMBL2679455

SCHEMBL2679455

CC(C)(C)OC(=O)N1CCC(c2cc(Cl)n3nccc3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.48
NPSR1 Q6W5P4 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
HTT P42858 2/20 0.45
GPR35 Q9HC97 2/20 0.44
GPR55 Q9Y2T6 2/20 0.44
CNR1 P21554 1/20 0.44
TSHR P16473 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL594178 0.94 GPR119 (0.45) GPR119NPSR1HPGDKDM4EALDH1A1
SCHEMBL2680289 0.89 GPR119 (0.50) GPR119NPSR1HPGDKDM4EALDH1A1
SCHEMBL11931256 0.89 TRPV3 (0.45) GPR119HPGDKDM4EALDH1A1MEN1
SCHEMBL2680236 0.87 GPR119 (0.48) GPR119NPSR1HPGDKDM4EALDH1A1
SCHEMBL4202199 0.86 ALDH1A1 (0.55) NPSR1HPGDKDM4EALDH1A1MEN1
SCHEMBL6892588 0.83 PDE10A (0.41) GPR119NPSR1HPGDKDM4EALDH1A1
SCHEMBL10277658 0.83 PDE10A (0.41) GPR119NPSR1HPGDKDM4EALDH1A1
SCHEMBL14050787 0.83 MALT1 (0.45) GPR119USP2SMN1; SMN2
SCHEMBL594986 0.83 PDE10A (0.47) NPSR1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL593570 0.83 TRPV3 (0.47) GPR119NPSR1HPGDKDM4EALDH1A1

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-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 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 (1 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR GPR119 807/4885NPSR1 4243/4885HPGD 2087/4885

“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.