SCHEMBL5656613

SCHEMBL5656613

COC(=O)C1=C(NC(C)=O)CCC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SLC6A2 P23975 6/20 0.40
SLC6A4 P31645 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL14539606 0.94 ALDH1A1 (0.49) SLC6A3ALDH1A1KDM4EMAPTHPGD
SCHEMBL5658248 0.94 ALDH1A1 (0.49) SLC6A3ALDH1A1KDM4EMAPTHPGD
SCHEMBL29013549 0.85 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL1820474 0.83 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL5656216 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL31384688 0.80 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL5657293 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL8636289 0.79 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL5656195 0.78 ATR (0.39) SLC6A3ALDH1A1SLC6A2SLC6A4ACHE
SCHEMBL5657803 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214813-B2 Preparation of chiral cyclic amino acids and derivatives THE PENN STATE RESEARCH FOUNDATION (US) 2007-05-08 US disclosed
US-7214813-B2 Preparation of chiral cyclic amino acids and derivatives THE PENN STATE RESEARCH FOUNDATION (US) 2007-05-08 US disclosed
US-20040242889-A1 Preparation of chiral cyclic amino acids and derivatives THE PENN STATE RESEARCH FOUNDATION 2004-12-02 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-20040242889-A1 Preparation of chiral cyclic amino acids and derivatives AADAT, PAM, BCAT2 SLC6A3 2914/4885ALDH1A1 2383/4885KDM4E 4176/4885

“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.