SCHEMBL4934280

SCHEMBL4934280

CCOC(=O)C1=C(c2ccc(CCCO)cc2)C(F)(F)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
CYP4A11 Q02928 2/20 0.36
CYP4F2 P78329 1/20 0.36
RORC P51449 2/20 0.36
ADORA1 P30542 1/20 0.36
GPR119 Q8TDV5 6/20 0.35
GPR4 P46093 1/20 0.33
PPARA Q07869 1/20 0.33
BTK Q06187 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL4939031 0.84 REN (0.44)
SCHEMBL4598388 0.83 ADORA1 (0.34) NR1H2RORCADORA1GPR119KDM4E
SCHEMBL4941222 0.80 NR1H2 (0.43) NR1H2CYP4A11CYP4F2RORCGPR119
SCHEMBL19176107 0.80 CHRM5 (0.45) NR1H2ADORA1
SCHEMBL4941012 0.79 NR1H2 (0.43) NR1H2CYP4A11CYP4F2RORCGPR119
SCHEMBL4941015 0.73 REN (0.44)
SCHEMBL19168831 0.73 CHRM5 (0.46) ADORA1
SCHEMBL4598109 0.71 TACR1 (0.35) NR1H2RORCGPR119
SCHEMBL5274358 0.70 NR1H2 (0.45) NR1H2CYP4A11CYP4F2GPR119
SCHEMBL28760411 0.70 NR1H2 (0.43) NR1H2CYP4A11CYP4F2GPR119PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234305-A1 Novel Tetrahydropyridine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-25 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 (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-20080234305-A1 Novel Tetrahydropyridine Derivatives REN, AGTR1, CBR1 NR1H2 797/4885CYP4A11 306/4885CYP4F2 439/4885

“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.