SCHEMBL6076181

SCHEMBL6076181

C=CCSc1ccc2c(c1)C=C(CNC(=O)CCC)CO2

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.62
ALOX5 P09917 10/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6077525 0.80 MTNR1A (0.73) MTNR1AALOX5CYP3A4CYP2C19L3MBTL1
SCHEMBL5225146 0.77 MTNR1A (1.00) MTNR1AALOX5MAPK1TP53KMT2A
SCHEMBL7019321 0.75 MTNR1A (0.80) MTNR1AALOX5KMT2A
SCHEMBL7204127 0.73 MTNR1A (0.77) MTNR1AALOX5
SCHEMBL6076183 0.72 MAPK1 (0.33) MTNR1AMAPK1CYP3A4CYP2C19L3MBTL1
SCHEMBL7206601 0.68 MTNR1A (0.56) MTNR1ASMN1; SMN2MAPK1CYP3A4CYP2C19
SCHEMBL6075347 0.65 MTNR1A (0.71) MTNR1AALOX5TP53KMT2A
SCHEMBL7199698 0.63 MTNR1A (0.72) MTNR1AALOX5
SCHEMBL6076446 0.61 MTNR1A (0.44) MTNR1ASMN1; SMN2CYP3A4CYP2C19TP53
SCHEMBL29196210 0.60 HPGD (0.70) SMN1; SMN2MAPK1KMT2A

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 MTNR1A 465/4885ALOX5 2867/4885SMN1; SMN2 4729/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885ALOX5 2867/4885SMN1; SMN2 4729/4885

“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.