SCHEMBL6366405

SCHEMBL6366405

O=C(O)CC1(C=NO)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
CYP1A2 P05177 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
CACNA2D1 P54289 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD11B1 P28845 2/20 0.35
MAPK1 P28482 1/20 0.31

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
SCHEMBL6366401 1.00 CYP2C19 (0.45) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL6365584 0.77 CYP2C19 (0.50) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL6544313 0.75 KDM4E (0.39) USP2ALDH1A1TSHR
SCHEMBL4689732 0.75 CYP2C19 (0.48) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL16150052 0.75 CYP2C19 (0.48) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL7696323 0.75 CYP2C19 (0.48) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL6545008 0.73 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL6860579 0.72 CYP2C19 (0.45) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL4929033 0.68 CYP2C19 (0.40) CYP2C19CYP1A2USP2ALDH1A1LMNA
SCHEMBL3345554 0.66 CYP2C19 (0.58) CYP2C19CYP1A2USP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063994-A1 Process for the preparation of cyclic amino acids SOLCHEM ITALIANA S.P.A. (IT) 2004-04-01 US claimed
EP-1373186-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS Solchem Italiana S.p.A (IT) 2004-01-02 EP claimed
WO-2002074727-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS SOLCHEM ITALIANA S.P.A. (IT) 2002-09-26 WO claimed
US-20050148792-A1 Process for the preparation of gabapentin GOPAL DAMODARAGOUNDER (US) 2005-07-07 US disclosed
US-20040063994-A1 Process for the preparation of cyclic amino acids SOLCHEM ITALIANA S.P.A. (IT) 2004-04-01 US disclosed
EP-1373186-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS Solchem Italiana S.p.A (IT) 2004-01-02 EP disclosed
WO-2002074727-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS SOLCHEM ITALIANA S.P.A. (IT) 2002-09-26 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 (2 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-20040063994-A1 Process for the preparation of cyclic amino acids SLC7A1, MRPL21, BCAT1 CYP2C19 1040/4885CYP1A2 2422/4885USP2 1762/4885
US-20050148792-A1 Process for the preparation of gabapentin GABRE, GABRB2, GABRA4 CYP2C19 379/4885CYP1A2 916/4885USP2 2384/4885

“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.