SCHEMBL6077016

SCHEMBL6077016

O=C(NCCc1cccc2cc[c]cc12)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.59
MTNR1B P49286 3/20 0.59
NQO2 P16083 1/20 0.59
TRPV1 Q8NER1 4/20 0.53
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.47
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
MLYCD O95822 1/20 0.42

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
SCHEMBL5437839 0.85 MTNR1A (0.68) MTNR1AMTNR1BNQO2TRPV1NPC1
SCHEMBL5341583 0.78 MTNR1A (0.70) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL6076123 0.77 MTNR1A (0.69) MTNR1AMTNR1BNQO2TRPV1NPC1
SCHEMBL6077009 0.77 MTNR1A (0.69) MTNR1AMTNR1BNQO2TRPV1HIF1A
SCHEMBL297764 0.76 PARP1 (0.46) MTNR1AMEN1KMT2A
SCHEMBL3235168 0.75 TRPV1 (0.66) MTNR1AMTNR1BNQO2TRPV1NPC1
SCHEMBL7017220 0.74 MTNR1A (1.00) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL4408801 0.74 MTNR1A (0.60) MTNR1AMTNR1BNQO2TRPV1NPC1
SCHEMBL296298 0.73 TDP1 (0.64) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL5185990 0.73 HDAC2 (0.64) NPC1RAB9AMEN1KMT2AMLYCD

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 8 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
CN-1304400-A Novel substituted cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-07-18 CN 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.