SCHEMBL1132343

SCHEMBL1132343

CSCC[C@H](N)C(=O)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.76
SPR P35270 4/20 0.69
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
IDO1 P14902 1/20 0.61
HPGD P15428 1/20 0.61
BLM P54132 1/20 0.61
NOTUM Q6P988 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
TRPV1 Q8NER1 9/20 0.56
PTGS2 P35354 4/20 0.56
FAAH O00519 1/20 0.56
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 1/20 0.54

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
SCHEMBL1132501 0.86 CTSC (1.00) CTSCKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL1132068 0.86 CTSC (1.00) CTSCKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7706652 0.85 SPR (0.68) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL24277478 0.85 SPR (0.74) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL20168578 0.85 HDAC8 (0.77) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL6399249 0.85 SPR (0.74) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL20168582 0.85 HDAC8 (0.77) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL29804259 0.85 HDAC8 (0.77) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL15145420 0.84 SPR (0.77) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL12720784 0.82 SPR (1.00) SPRKDM4EALDH1A1NPSR1CYP2D6

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-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 CTSC 1123/4885SPR 519/4885KDM4E 4594/4885

“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.