SCHEMBL3389445

SCHEMBL3389445

CC(=O)C1(CN)CCOC1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 3/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8593083 0.83 ALDH1A1 (0.34) ALDH1A1CYP2C9LMNACYP3A4CYP2C19
SCHEMBL26477096 0.74 PAOX (0.34)
SCHEMBL7563469 0.72 LMNA (0.33) CYP2C9LMNA
SCHEMBL6960808 0.71 LMNA (0.31) CYP2C9LMNA
SCHEMBL8197883 0.69 LMNA (0.32) CYP2C9LMNA
SCHEMBL8459306 0.69 CYP2C9 (0.32) CYP2C9LMNACYP3A4CYP2C19ALOX15
SCHEMBL3385057 0.69 TSHR (0.40) ALDH1A1CYP2C9LMNACYP3A4CYP2C19
SCHEMBL7517029 0.68 CYP2C9 (0.41) ALDH1A1CYP2C9LMNACYP3A4CYP2C19
SCHEMBL16065315 0.68
SCHEMBL4252207 0.68 CYP2C9 (0.41) ALDH1A1CYP2C9LMNACYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1249448-B1 3-Acetyl-n-substituted-3-aminomethyltetrahydroguran-2-one derivative and process therefor DAICEL CHEM (JP) 2010-12-15 EP claimed
US-6498258-B2 SUCH AS 3-ACETYL-N,N-DIBENZYL-3-AMINOMETHYLTETRAHYDROFURAN-2-ONE FORMED VIA AMINOMETHYLATION WITH FORMALDEHYDE AND PRIMARY/SECONDARY AMINE; DEACYLATION; HYDROGENOLYSIS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-24 US claimed
US-20020151727-A1 3-ACETYL-N-SUBSTITUTED-3-AMINOMETHYLTETRAHYDROFURAN-2-ONE DERIVATIVE AND PRODUCTION PROCESS THEREFOR DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-17 US claimed
EP-1249448-A1 3-Acetyl-n-substituted-3-aminomethyltetrahydroguran-2-one derivative and process therefor Daicel Chemical Industries, Ltd. (JP) 2002-10-16 EP claimed
EP-1249448-B1 3-Acetyl-n-substituted-3-aminomethyltetrahydroguran-2-one derivative and process therefor DAICEL CHEM (JP) 2010-12-15 EP disclosed
US-6498258-B2 SUCH AS 3-ACETYL-N,N-DIBENZYL-3-AMINOMETHYLTETRAHYDROFURAN-2-ONE FORMED VIA AMINOMETHYLATION WITH FORMALDEHYDE AND PRIMARY/SECONDARY AMINE; DEACYLATION; HYDROGENOLYSIS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-24 US disclosed
US-20020151727-A1 3-ACETYL-N-SUBSTITUTED-3-AMINOMETHYLTETRAHYDROFURAN-2-ONE DERIVATIVE AND PRODUCTION PROCESS THEREFOR DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-17 US disclosed
EP-1249448-A1 3-Acetyl-n-substituted-3-aminomethyltetrahydroguran-2-one derivative and process therefor Daicel Chemical Industries, Ltd. (JP) 2002-10-16 EP 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-20020151727-A1 3-ACETYL-N-SUBSTITUTED-3-AMINOMETHYLTETRAHYDROFURAN-2-ONE DERIVATIVE AND PRODUCTION PROCESS THEREFOR FAR1, ALDH7A1, NAT1 ALDH1A1 20/4885CYP2C9 707/4885LMNA 3256/4885

“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.