SCHEMBL6076183

SCHEMBL6076183

C=CCSc1ccc2c(c1)=COCC=2CNC(=O)CCC

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
MTNR1A P48039 1/20 0.32
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6077529 0.80 CYP3A4 (0.39) MTNR1AKMT2AKDM4EMEN1GAA
SCHEMBL5225148 0.77 MTNR1A (0.52) MTNR1A
SCHEMBL6076181 0.72 MTNR1A (0.62) MAPK1MTNR1AKMT2ACYP3A4CYP2C19
SCHEMBL6076322 0.67 MTNR1A (0.32) MTNR1A
SCHEMBL6075352 0.65 KDM4E (0.35) MTNR1AKMT2AKDM4EHPGDCYP3A4
SCHEMBL7199704 0.63 MTNR1A (0.43) MAPK1MTNR1A
SCHEMBL14732579 0.57 CYP3A4 (0.55) KMT2AKDM4EMEN1GAAHPGD
SCHEMBL14732584 0.56 CYP3A4 (0.56) KMT2AKDM4EMEN1GAAHPGD
SCHEMBL11310587 0.55 ALDH1A1 (0.39) KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL8755108 0.55 L3MBTL1 (0.41) MAPK1KMT2AKDM4EMEN1HPGD

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 MAPK1 3696/4885MTNR1A 465/4885KMT2A 1322/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MAPK1 3696/4885MTNR1A 465/4885KMT2A 1322/4885

“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.