SCHEMBL6075934

SCHEMBL6075934

O=C(Cc1ccccc1)NCCC1CCOc2cc(S(=O)(=O)CC3CC3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
RORC P51449 1/20 0.38
KCNH2 Q12809 1/20 0.38
HPGD P15428 3/20 0.37
BDKRB1 P46663 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
HTR1A P08908 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CHRM4 P08173 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 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
SCHEMBL6075931 0.93 MTNR1A (0.42) CA1CA2CA5ACA7CA5B
SCHEMBL5346158 0.82 MTNR1A (0.44) CA1CA2KCNH2HPGDALDH1A1
SCHEMBL5341369 0.81 KDM4C (0.47) KCNH2HPGDALDH1A1MTNR1AMTNR1B
SCHEMBL5337505 0.81 SIGMAR1 (0.44) KCNH2HPGDALDH1A1MTNR1AMTNR1B
SCHEMBL6077449 0.80 SMN1; SMN2 (0.43) HPGDALDH1A1MTNR1AMTNR1BHTR1A
SCHEMBL5227718 0.79 HTR1A (0.59) MTNR1AMTNR1BHTR1ANPC1
SCHEMBL5346153 0.76 MTNR1A (0.47) CA1CA2HPGDALDH1A1MTNR1A
SCHEMBL5341367 0.75 MTNR1A (0.45) HPGDALDH1A1MTNR1AMTNR1BHTR1A
SCHEMBL5337503 0.75 MTNR1A (0.45) HPGDALDH1A1MTNR1AMTNR1BHTR1A
SCHEMBL6077448 0.75 SMN1; SMN2 (0.43) HPGDALDH1A1MTNR1AMTNR1BHTR1A

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 CA1 2119/4885CA2 3101/4885CA5A 636/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR CA1 2119/4885CA2 3101/4885CA5A 636/4885

“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.