SCHEMBL6077115

SCHEMBL6077115

O=C(NCCc1c[nH]c2ccc(O)cc12)NCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.75
SPR P35270 3/20 0.65
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
MAPT P10636 1/20 0.65
IDO1 P14902 1/20 0.65
HPGD P15428 1/20 0.65
BLM P54132 1/20 0.65
NOTUM Q6P988 1/20 0.65
PTGS1 P23219 3/20 0.64
PTGS2 P35354 2/20 0.64
ACHE P22303 1/20 0.62
LMNA P02545 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL735830 0.88 KMT2A (0.72) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL25076892 0.84 HTR2A (0.68) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL7023934 0.83 LMNA (0.64) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL8802846 0.83 TRPM8 (0.68) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL1960963 0.82 SPR (0.78) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL807557 0.82 TRPV1 (0.70) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL31277254 0.82 ACHE (0.75) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL5342883 0.82 ACHE (0.75) TRPV1SPRKDM4EALDH1A1NPSR1
SCHEMBL6075817 0.82 TRPV1 (0.61) TRPV1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7100086 0.82 SPR (0.76) TRPV1SPRKDM4EALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7126012-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-24 US disclosed
US-7115752-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-03 US disclosed
US-20050124682-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-06-09 US disclosed
US-6872851-B1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATORIES SERVIER (FR) 2005-03-29 US disclosed
US-20050059729-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-03-17 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 (2 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-20050059729-A1 Substituted cyclic compounds CCNY, CCNT2, TECR TRPV1 2763/4885SPR 843/4885KDM4E 1740/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR TRPV1 2763/4885SPR 843/4885KDM4E 1740/4885

“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.