SCHEMBL4451814

SCHEMBL4451814

CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.50
P2RY14 Q15391 1/20 0.49
GPR119 Q8TDV5 3/20 0.47
HTT P42858 1/20 0.46
IDH1 O75874 1/20 0.45
IDH2 P48735 1/20 0.45
SCN9A Q15858 1/20 0.45
TRPV3 Q8NET8 1/20 0.45
TACR1 P25103 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
SYK P43405 1/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
PTK2 Q05397 1/20 0.44
TGFBR1 P36897 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
SCHEMBL4456613 0.92 GPR119 (0.48) GPR119HTTTRPV3MAPTKDM4E
SCHEMBL4466569 0.84 GPR119 (0.50) STSP2RY14GPR119HTTMAPT
SCHEMBL13807221 0.82 STS (0.49) STSP2RY14GPR119HTTMAPT
SCHEMBL4458994 0.82 HTT (0.48) GPR119HTTTRPV3MAPTKDM4E
SCHEMBL29491422 0.80 TRPV3 (0.53) GPR119HTTTRPV3MAPTKDM4E
SCHEMBL2878345 0.80 TRPV3 (0.53) GPR119HTTTRPV3MAPTKDM4E
SCHEMBL4459443 0.80 GRM1 (0.54) SCN9A
SCHEMBL12632984 0.79 RARA (0.52) GPR119HTTIDH1IDH2MAPT
SCHEMBL13807225 0.79 STS (0.48) STSP2RY14GPR119HTTTACR1
SCHEMBL4454852 0.79 GPR119 (0.51) GPR119HTTMAPTKDM4ETHRB

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 STS 2670/4885P2RY14 52/4885GPR119 185/4885

“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.