SCHEMBL6075868

SCHEMBL6075868

CC(=O)NCC1CCOc2ccc(SCc3ccccc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
HTR1A P08908 2/20 0.44
KDM4C Q9H3R0 10/20 0.42
MTNR1A P48039 5/20 0.42
MTNR1B P49286 4/20 0.42
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6075869 0.92 KDM4C (0.46) SMN1; SMN2HTR1AKDM4C
SCHEMBL6077493 0.78 HTR1A (0.43) HTR1AKDM4CMTNR1AMTNR1BHPGD
SCHEMBL6077044 0.77 MTNR1A (0.49) HTR1AKDM4CMTNR1AMTNR1B
SCHEMBL7844294 0.77 HPGD (0.56) SMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL6076277 0.76 MTNR1A (0.48) HTR1AKDM4CMTNR1AMTNR1B
SCHEMBL5226600 0.74 MTNR1A (0.65) HTR1AMTNR1AMTNR1B
SCHEMBL6076764 0.72 MTNR1A (0.55) KDM4CMTNR1AMTNR1B
SCHEMBL6077498 0.72 HTR1A (0.43) HTR1AKDM4CMTNR1AMTNR1B
SCHEMBL6077448 0.71 SMN1; SMN2 (0.43) SMN1; SMN2HTR1AMTNR1AMTNR1BALDH1A1
SCHEMBL6077048 0.70 MTNR1A (0.44) KDM4CMTNR1AMTNR1B

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 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
EP-1077927-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
WO-1999058495-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 WO 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 SMN1; SMN2 4729/4885HTR1A 1875/4885KDM4C 1100/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR SMN1; SMN2 4729/4885HTR1A 1875/4885KDM4C 1100/4885

“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.