SCHEMBL6076911

SCHEMBL6076911

O=C(NCCc1cccc2ccc(O)cc12)c1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.67
MTNR1A P48039 2/20 0.60
MTNR1B P49286 2/20 0.60
NQO2 P16083 4/20 0.58
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
TP53 P04637 1/20 0.51
TP53BP1 Q12888 1/20 0.51
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSP90AA1 P07900 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
PTBP1 P26599 1/20 0.49

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
SCHEMBL9490469 0.85 MTNR1A (0.75) TRPV1MTNR1AMTNR1BNQO2
SCHEMBL5341583 0.85 MTNR1A (0.70) TRPV1MTNR1AMTNR1BNQO2
SCHEMBL6078577 0.82 ALDH1A1 (0.51) TRPV1MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL6076810 0.82 NQO2 (0.48) TRPV1MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL7839407 0.81 MTNR1A (0.48) TRPV1MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL5343899 0.80 MTNR1A (0.70) TRPV1MTNR1AMTNR1BNQO2
SCHEMBL6076043 0.77 ALDH1A1 (0.48) TRPV1MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL27490705 0.77 MTNR1A (0.77) TRPV1MTNR1AMTNR1BNQO2
SCHEMBL27436070 0.76 NQO2 (0.73) TRPV1MTNR1AMTNR1BNQO2
SCHEMBL4043404 0.76 MTNR1A (1.00) MTNR1AMTNR1BNQO2

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 TRPV1 2763/4885MTNR1A 465/4885MTNR1B 414/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR TRPV1 2763/4885MTNR1A 465/4885MTNR1B 414/4885

“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.