SCHEMBL4941012

SCHEMBL4941012

COC(=O)C1=C(c2ccc(CCCO)cc2)C2(CC2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.43
CYP4A11 Q02928 2/20 0.41
GPR119 Q8TDV5 7/20 0.38
CYP4F2 P78329 1/20 0.38
PKM P14618 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PPARA Q07869 1/20 0.34
RORC P51449 2/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL4941222 0.89 NR1H2 (0.43) NR1H2CYP4A11GPR119CYP4F2PKM
SCHEMBL4939372 0.87 PKM (0.36) NR1H2GPR119PKMHDAC1HDAC8
SCHEMBL4932897 0.83 REN (0.46)
SCHEMBL4934280 0.79 NR1H2 (0.41) NR1H2CYP4A11GPR119CYP4F2PPARA
SCHEMBL5274358 0.79 NR1H2 (0.45) NR1H2CYP4A11GPR119CYP4F2HDAC1
SCHEMBL4938707 0.77 NR1H2 (0.37) NR1H2GPR119PKMHDAC1HDAC6
SCHEMBL4938688 0.74 REN (0.45)
SCHEMBL4937394 0.73 REN (0.46)
SCHEMBL19176107 0.70 CHRM5 (0.45) NR1H2
SCHEMBL9350724 0.68 GPR119 (0.47) NR1H2GPR119HDAC1HDAC6

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 306/4885GPR119 84/4885

“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.