SCHEMBL6076022

SCHEMBL6076022

C=CCCSc1ccc2sc(Cc3ccccc3)c(CNC(C)=O)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.36
MTNR1B P49286 8/20 0.36
USP2 O75604 1/20 0.33
SENP5 Q96HI0 1/20 0.33
SENP2 Q9HC62 1/20 0.33
SENP1 Q9P0U3 1/20 0.33
KIF11 P52732 1/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
RAB9A P51151 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 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
SCHEMBL5342174 0.78 MTNR1A (0.48) MTNR1AMTNR1BUSP2SENP5SENP2
SCHEMBL5351211 0.78 PTPN1 (0.41) MTNR1AMTNR1BUSP2SENP5SENP2
SCHEMBL5381775 0.78 PTGS2 (0.40) MTNR1AMTNR1BMAPTTSHRPTGS2
SCHEMBL8125052 0.71 MTNR1A (0.45) MTNR1AMTNR1BTSHRSMN1; SMN2CYP1A2
SCHEMBL6075298 0.69 SENP5 (0.34) MTNR1AMTNR1BUSP2SENP5SENP2
SCHEMBL8124043 0.68 MTNR1A (0.60) MTNR1AMTNR1BMAPTTSHRCYP1A2
SCHEMBL8123933 0.68 MTNR1A (0.47) MTNR1AMTNR1BTSHRCYP1A2CYP3A4
SCHEMBL8126822 0.68 MTNR1A (0.61) MTNR1AMTNR1BMAPTTSHRCYP1A2
SCHEMBL8124556 0.67 MTNR1A (0.57) MTNR1AMTNR1BMAPTTSHRSMN1; SMN2
SCHEMBL6075757 0.67 MTNR1A (0.48) MTNR1AMTNR1BMAPTTSHRSMN1; SMN2

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
US-7126012-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-24 US claimed
US-20050059729-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-03-17 US claimed
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 465/4885MTNR1B 414/4885USP2 4494/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885USP2 4494/4885

“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.