SCHEMBL6818549

SCHEMBL6818549

CCOC(=O)N1C(=O)C2C=CC1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
PKM P14618 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 3/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ATM Q13315 2/20 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
SCHEMBL6822290 1.00 ALDH1A1 (0.40) ALDH1A1CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL7135374 0.87 ALDH1A1 (0.39) ALDH1A1CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL4989211 0.80 CHRNB2 (0.33) ALDH1A1CYP2C19CYP1A2CYP3A4SMN1; SMN2
SCHEMBL23583803 0.79 CHRM2 (0.37) KMT2AMEN1NFKB1NFKB2RELA
SCHEMBL2134574 0.79 CHRM2 (0.37) KMT2AMEN1NFKB1NFKB2RELA
SCHEMBL6824552 0.78 MAPK1 (0.36) ALDH1A1SMN1; SMN2KMT2AMEN1PKM
SCHEMBL4995377 0.73 RAB9A (0.34) ALDH1A1SMN1; SMN2LMNAKMT2ANPSR1
SCHEMBL1100523 0.70 GAA (0.38) ALDH1A1CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL11582658 0.66 LMNA (0.46) ALDH1A1CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL7052178 0.66 GAA (0.42) ALDH1A1TSHRSMN1; SMN2GAALMNA

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
US-20040167351-A1 Method for preparing (1R,4S)-2-azabicyclo[2.2.1]hept-5-ene-3-one derivatives BERNEGGER-EGLI CHRISTINE (CH) 2004-08-26 US claimed
US-6780634-B1 Method for producing (1R,4S)-2-azabicyclo[2.2.1]-hept-5-en-3-on derivatives LONZA AG (CH) 2004-08-24 US claimed
EP-1095160-B1 METHOD FOR PRODUCING (1R,4S)-2-AZABICYCLO 2.2.1 HEPT-5-EN-3-ON DERIVATIVES. LONZA AG (CH) 2004-01-28 EP claimed
US-20040167351-A1 Method for preparing (1R,4S)-2-azabicyclo[2.2.1]hept-5-ene-3-one derivatives BERNEGGER-EGLI CHRISTINE (CH) 2004-08-26 US disclosed
US-6780634-B1 Method for producing (1R,4S)-2-azabicyclo[2.2.1]-hept-5-en-3-on derivatives LONZA AG (CH) 2004-08-24 US disclosed
EP-1095160-B1 METHOD FOR PRODUCING (1R,4S)-2-AZABICYCLO 2.2.1 HEPT-5-EN-3-ON DERIVATIVES. LONZA AG (CH) 2004-01-28 EP disclosed
EP-1095160-A1 METHOD FOR PRODUCING (1R,4S)-2-AZABICYCLO 2.2.1 HEPT-5-EN-3-ON DERIVATIVES. Lonza AG (CH) 2001-05-02 EP disclosed
WO-2000003032-A1 METHOD FOR PRODUCING (1R,4S)-2-AZABICYLCO[2.2.1]HEPT-5-EN-3-ON DERIVATIVES LONZA AG (CH) 2000-01-20 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-20040167351-A1 Method for preparing (1R,4S)-2-azabicyclo[2.2.1]hept-5-ene-3-one derivatives APEH, CYP51A1, CYP8B1 ALDH1A1 212/4885CYP2C19 195/4885CYP1A2 26/4885

“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.