SCHEMBL5217962

SCHEMBL5217962

N[C@@H](CC1CNc2ccccc21)C(=O)O.O=C1NCCO1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.46
TDO2 P48775 1/20 0.46
CCKBR P32239 2/20 0.35
AKT1 P31749 1/20 0.33
TACR1 P25103 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
SCHEMBL247407 0.87 IDO1 (0.55) IDO1TDO2CCKBRAKT1TACR1
SCHEMBL247406 0.87 IDO1 (0.55) IDO1TDO2CCKBRAKT1TACR1
SCHEMBL14619153 0.74 IDO1 (0.46) IDO1TDO2CCKBR
SCHEMBL2605810 0.74 CCKBR (0.41) IDO1TDO2CCKBRAKT1TACR1
SCHEMBL12680063 0.73 IDO1 (0.39) IDO1TDO2CCKBRAKT1TACR1
SCHEMBL13188042 0.72 IDO1 (0.41) IDO1TDO2AKT1TACR1
SCHEMBL6860568 0.72 IDO1 (0.41) IDO1TDO2AKT1TACR1
SCHEMBL23824580 0.71 IDO1 (0.61) IDO1TDO2TACR1
SCHEMBL30310627 0.71 IDO1 (0.61) IDO1TDO2TACR1
SCHEMBL14129011 0.71 AKT1 (0.37) IDO1TDO2AKT1TACR1

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
EP-1575900-A4 N-METHYL AMINO ACIDS UBIQUITOUS TECHNOLOGIES PTY LT (AU) 2007-02-21 EP disclosed
US-20050245432-A1 N-methyl amino acids UBIQUITOUS TECHNOLOGIES PTY. LTD. (AU) 2005-11-03 US disclosed
EP-1575900-A1 N-METHYL AMINO ACIDS UBIQUITOUS TECHNOLOGIES PTY LTD (AU) 2005-09-21 EP disclosed
WO-2004007427-A1 N-METHYL AMINO ACIDS UBIQUITOUS TECHNOLOGIES PTY LTD (AU) 2004-01-22 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-20050245432-A1 N-methyl amino acids VIP, NPPA, PTMS IDO1 1489/4885TDO2 3235/4885CCKBR 54/4885

“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.