SCHEMBL4454852

SCHEMBL4454852

CC(C)(C)OC(=O)N1CCC(c2cncc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.51
KDM4E B2RXH2 3/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL13959350 0.91 GPR119 (0.44) GPR119KDM4EMAPTTHRBALDH1A1
SCHEMBL4456613 0.87 GPR119 (0.48) GPR119KDM4EMAPTTHRBALDH1A1
SCHEMBL4456351 0.80 GRM1 (0.51) GPR119
SCHEMBL13422169 0.80 GPR119 (0.48) GPR119KDM4EMAPTTHRBALDH1A1
SCHEMBL14240514 0.79 GPR119 (0.49) GPR119KDM4EMAPTTHRBALDH1A1
SCHEMBL15939522 0.79 GPR119 (0.48) GPR119KDM4EMAPTTHRBALDH1A1
SCHEMBL4451814 0.79 STS (0.50) GPR119KDM4EMAPTTHRBHTT
SCHEMBL31706082 0.76 GPR119 (0.48) GPR119KDM4EMAPTTHRBALDH1A1
SCHEMBL13807685 0.76 KDM4E (0.43) GPR119KDM4EMAPTTHRBALDH1A1
SCHEMBL30711274 0.74 GPR119 (0.65) GPR119KDM4EMAPTTHRBHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
WO-2007100610-A2 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-09-07 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-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators CXCR3, CXCR1, CXCR5 GPR119 185/4885KDM4E 3976/4885MAPT 4572/4885

“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.