SCHEMBL1132857

SCHEMBL1132857

NC(Cc1c[nH]c2ccccc12)C(=O)[C@H](N)CCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.69
MAPT P10636 2/20 0.69
MEN1 O00255 1/20 0.69
LMNA P02545 1/20 0.69
MPO P05164 1/20 0.69
TSHR P16473 1/20 0.69
BLM P54132 1/20 0.69
PMP22 Q01453 1/20 0.69
KMT2A Q03164 1/20 0.69
HIF1A Q16665 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.59
APAF1 O14727 1/20 0.54
POLB P06746 1/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HTR2A P28223 2/20 0.52
ADRB1 P08588 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
SLC6A2 P23975 1/20 0.52

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
SCHEMBL31436164 1.00 KDM4E (0.69) KDM4EMAPTMEN1LMNAMPO
Tryptophan SCHEMBL6688035 0.90 KDM4E (0.82) KDM4EMAPTMEN1LMNAMPO
Dl-Tryptophan SCHEMBL27153460 0.90 KDM4E (0.82) KDM4EMAPTMEN1LMNAMPO
SCHEMBL1132348 0.90 KDM4E (0.65) KDM4EMAPTMEN1LMNAMPO
Dl-Tryptophan SCHEMBL8059982 0.90 KDM4E (0.82) KDM4EMAPTMEN1LMNAMPO
SCHEMBL11768547 0.87 KDM4E (0.72) KDM4EMAPTMEN1LMNAMPO
Tryptophan SCHEMBL1487572 0.86 KDM4E (0.76) KDM4EMAPTMEN1LMNAMPO
SCHEMBL3401965 0.86 KDM4E (0.64) KDM4EMAPTMEN1LMNAMPO
Dl-Tryptophan SCHEMBL27865136 0.86 KDM4E (0.76) KDM4EMAPTMEN1LMNAMPO
SCHEMBL3036060 0.86 KMT2A (0.76) KDM4EMAPTMEN1LMNAMPO

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
EP-1408032-B1 Coupling product between tryptamine and an alpha-amino acid and its use in the field of neuro-cosmetics EXSYMOL SA (MC) 2011-02-16 EP claimed
US-7094796-B2 Coupling product between tryptamine and an alpha-amino acid, process for its preparation as well as its application in the neurocosmetic field EXSYMOL S.A.M. (MC) 2006-08-22 US claimed
US-20040110814-A1 Coupling product between tryptamine and an alpha-amino acid, process for its preparation as well as its application in the neurocosmetic field EXSYLMOL S.A.M. 2004-06-10 US claimed
EP-1408032-B1 Coupling product between tryptamine and an alpha-amino acid and its use in the field of neuro-cosmetics EXSYMOL SA (MC) 2011-02-16 EP disclosed
US-7094796-B2 Coupling product between tryptamine and an alpha-amino acid, process for its preparation as well as its application in the neurocosmetic field EXSYMOL S.A.M. (MC) 2006-08-22 US disclosed
US-20040110814-A1 Coupling product between tryptamine and an alpha-amino acid, process for its preparation as well as its application in the neurocosmetic field EXSYLMOL S.A.M. 2004-06-10 US disclosed
EP-1408032-A2 Coupling product between tryptamine and an alpha-amino acid and its use in the field of neuro-cosmetics EXSYMOL S.A.M. (MC) 2004-04-14 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-20040110814-A1 Coupling product between tryptamine and an alpha-amino acid, process for its preparation as well as its application in the neurocosmetic field TPH1, IDO1, KYNU KDM4E 4594/4885MAPT 680/4885MEN1 234/4885

“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.