SCHEMBL4941222

SCHEMBL4941222

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.43
CYP4A11 Q02928 2/20 0.42
CYP4F2 P78329 1/20 0.39
GPR119 Q8TDV5 7/20 0.37
RORC P51449 2/20 0.35
PPARA Q07869 1/20 0.34
PKM P14618 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 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
SCHEMBL4941012 0.89 NR1H2 (0.43) NR1H2CYP4A11CYP4F2GPR119RORC
SCHEMBL4938707 0.87 NR1H2 (0.37) NR1H2GPR119RORCPKMHDAC1
SCHEMBL4937394 0.83 REN (0.46)
SCHEMBL4934280 0.80 NR1H2 (0.41) NR1H2CYP4A11CYP4F2GPR119RORC
SCHEMBL5274358 0.80 NR1H2 (0.45) NR1H2CYP4A11CYP4F2GPR119HDAC1
SCHEMBL4939372 0.77 PKM (0.36) NR1H2GPR119PKMHDAC1HDAC6
SCHEMBL4932897 0.73 REN (0.46)
SCHEMBL4930538 0.73 REN (0.45) RORC
SCHEMBL19176107 0.71 CHRM5 (0.45) NR1H2
SCHEMBL9350724 0.69 GPR119 (0.47) NR1H2GPR119HDAC1HDAC6PTPN2

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-20080234305-A1 Novel Tetrahydropyridine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-25 US disclosed
CN-1863773-A Tetrahydropyridine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2006-11-15 CN disclosed
EP-1673341-A1 TETRAHYDROPYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-06-28 EP disclosed
WO-2005040120-A1 TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-05-06 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-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.