SCHEMBL6077449

SCHEMBL6077449

O=C(Cc1ccccc1)NCCC1CCOc2cc(SCC3CC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
KDM4C Q9H3R0 13/20 0.39
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
KDM6B O15054 3/20 0.37
HTR1A P08908 1/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL6077448 0.93 SMN1; SMN2 (0.43) SMN1; SMN2MTNR1AMTNR1BHTR1AHPGD
SCHEMBL5346158 0.83 MTNR1A (0.44) SMN1; SMN2MTNR1AMTNR1BHTR1AHPGD
SCHEMBL5337505 0.82 SIGMAR1 (0.44) SMN1; SMN2MTNR1AMTNR1BHTR1AHPGD
SCHEMBL5341369 0.82 KDM4C (0.47) SMN1; SMN2KDM4CMTNR1AMTNR1BHTR1A
SCHEMBL6075934 0.80 CA1 (0.39) SMN1; SMN2KDM4CMTNR1AMTNR1BHTR1A
SCHEMBL5227718 0.80 HTR1A (0.59) MTNR1AMTNR1BHTR1ANPC1
SCHEMBL5346153 0.77 MTNR1A (0.47) SMN1; SMN2MTNR1AMTNR1BHTR1AHPGD
SCHEMBL5337503 0.76 MTNR1A (0.45) SMN1; SMN2MTNR1AMTNR1BHTR1AHPGD
SCHEMBL5341367 0.76 MTNR1A (0.45) SMN1; SMN2KDM4CMTNR1AMTNR1BHTR1A
SCHEMBL6075931 0.75 MTNR1A (0.42) MTNR1AMTNR1BHTR1AHPGDNPC1

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 4729/4885KDM4C 1100/4885MTNR1A 465/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR SMN1; SMN2 4729/4885KDM4C 1100/4885MTNR1A 465/4885

“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.