SCHEMBL6075827

SCHEMBL6075827

C#CCSc1ccc2oc(Cc3ccco3)c(CNC(C)=O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 9/20 0.38
▸ MTNR1B P49286 9/20 0.38
▸ POLB P06746 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ HPGD P15428 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TSHR P16473 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
SCHEMBL6076262 0.81 MTNR1A (0.56) MTNR1AMTNR1BPOLBL3MBTL1HPGD
SCHEMBL8123672 0.70 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL8132594 0.69 MTNR1A (0.73) MTNR1AMTNR1B
SCHEMBL6075467 0.66 MTNR1A (0.36) MTNR1AMTNR1BPOLBL3MBTL1HPGD
SCHEMBL48668 0.64 ALDH1A1 (0.62) POLBL3MBTL1HPGDHSD17B10ALDH1A1
SCHEMBL8126745 0.63 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL8128665 0.61 MTNR1A (0.51) MTNR1AMTNR1BL3MBTL1ALDH1A1NPC1
SCHEMBL8116625 0.61 MTNR1A (0.56) MTNR1AMTNR1BNPC1RAB9A
SCHEMBL8124372 0.60 MTNR1A (0.58) MTNR1AMTNR1BNPC1RAB9A
SCHEMBL8118751 0.60 MTNR1A (0.42) MTNR1AMTNR1BPOLBHPGDHSD17B10

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 9 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
EP-1077927-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 — — EP claimed
WO-1999058495-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 — — WO 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 414/4885POLB 1154/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885POLB 1154/4885

“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.

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