SCHEMBL6077298

SCHEMBL6077298

C=CCC(=O)NCCC1CCOc2ccc(O)cc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.47
MTNR1B P49286 16/20 0.47
NQO2 P16083 2/20 0.47
ABCB11 O95342 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
USP2 O75604 1/20 0.39
TRPV1 Q8NER1 1/20 0.35
ACACB O00763 1/20 0.34

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
SCHEMBL6077302 0.91 NQO2 (0.47) MTNR1AMTNR1BNQO2ABCB11SIGMAR1
SCHEMBL5225817 0.85 MTNR1A (0.55) MTNR1AMTNR1BNQO2
SCHEMBL6076698 0.82 MTNR1A (0.64) MTNR1AMTNR1BNQO2ABCB11SIGMAR1
SCHEMBL5346153 0.81 MTNR1A (0.47) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7963135 0.80 MTNR1A (0.50) MTNR1AMTNR1BNQO2ABCB11SIGMAR1
SCHEMBL7013960 0.80 MTNR1A (0.51) MTNR1AMTNR1BNQO2ABCB11SIGMAR1
SCHEMBL5225818 0.79 MTNR1A (0.49) MTNR1AMTNR1BNQO2
SCHEMBL6075683 0.77 MTNR1A (0.38) MTNR1AMTNR1BTRPV1
SCHEMBL6075685 0.76 MTNR1A (0.37) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL8794011 0.74 KDM4C (0.41) MTNR1AMTNR1B

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 MTNR1A 465/4885MTNR1B 414/4885NQO2 66/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885NQO2 66/4885

“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.