N-Caffeoylserotonin

N-Caffeoylserotonin

SCHEMBL803616

O=C(/C=C/c1ccc(O)c(O)c1)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 1.00
MAOB P27338 1/20 0.84
SPR P35270 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
MAPT P10636 1/20 0.60
IDO1 P14902 1/20 0.60
HPGD P15428 1/20 0.60
BLM P54132 1/20 0.60
NOTUM Q6P988 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ACHE P22303 3/20 0.58
APP P05067 1/20 0.58
HDAC3 O15379 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56

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
N-Caffeoylserotonin SCHEMBL4294054 1.00 PTGS2 (1.00) PTGS2MAOBSPRKDM4EALDH1A1
N-Caffeoylserotonin SCHEMBL30039282 1.00 PTGS2 (1.00) PTGS2MAOBSPRKDM4EALDH1A1
N-P-Coumaroyl Serotonin SCHEMBL29594565 0.91 MAOB (1.00) PTGS2MAOBSPRKDM4EALDH1A1
N-P-Coumaroyl Serotonin SCHEMBL471922 0.91 MAOB (1.00) PTGS2MAOBSPRKDM4EALDH1A1
N-P-Coumaroyl Serotonin SCHEMBL471921 0.91 MAOB (1.00) PTGS2MAOBSPRKDM4EALDH1A1
SCHEMBL471948 0.91 PTGS2 (0.83) PTGS2MAOBSPRKDM4EALDH1A1
SCHEMBL471949 0.91 PTGS2 (0.83) PTGS2MAOBSPRKDM4EALDH1A1
SCHEMBL10070991 0.90 PTGS2 (0.82) PTGS2MAOBSPRKDM4EALDH1A1
SCHEMBL16418946 0.90 PTGS2 (0.81) PTGS2MAOBMAPTMEN1KMT2A
SCHEMBL4427822 0.89 PTGS2 (0.80) PTGS2MAOBALDH1A1MAPTMEN1

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-2790659-B1 COSMETIC COMPOSITION FOR STIMULATING THE CELLULAR ANTI-AGING FUNCTIONS OF THE SKIN SYNTIVIA (FR) 2017-03-01 EP disclosed
US-9295624-B2 Amide derivative and whitening agent AJINOMOTO CO., INC. (JP) 2016-03-29 US disclosed
US-20150031740-A1 COSMETIC COMPOSITION FOR STIMULATING THE CELLULAR ANTI-AGING FUNCTIONS OF THE SKIN UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2015-01-29 US disclosed
US-20150031740-A1 COSMETIC COMPOSITION FOR STIMULATING THE CELLULAR ANTI-AGING FUNCTIONS OF THE SKIN UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2015-01-29 US disclosed
US-20140255327-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT AJINOMOTO CO. INC. (JP) 2014-09-11 US disclosed
WO-2013087834-A2 COSMETIC COMPOSITION FOR STIMULATING THE CELLULAR ANTI-AGING FUNCTIONS OF THE SKIN SYNTIVIA (FR) 2013-06-20 WO disclosed
US-20120070395-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT AJINOMOTO CO. INC (JP) 2012-03-22 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 (3 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-20150031740-A1 COSMETIC COMPOSITION FOR STIMULATING THE CELLULAR ANTI-AGING FUNCTIONS OF THE SKIN H1-0, C1R, H1-3 PTGS2 1291/4885MAOB 972/4885SPR 3441/4885
US-20140255327-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT CUTA, NAT1, TYR PTGS2 2191/4885MAOB 416/4885SPR 3569/4885
US-20120070395-A1 NOVEL AMIDE DERIVATIVE AND WHITENING AGENT CUTA, NAT1, TYR PTGS2 2191/4885MAOB 416/4885SPR 3569/4885

“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.