SCHEMBL6077010

SCHEMBL6077010

O=C(NCCc1csc2ccc(Cl)cc12)C1CC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.70
MTNR1B P49286 5/20 0.70
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
MAPT P10636 1/20 0.49
CYP2A6 P11509 2/20 0.48
EPHX1 P07099 1/20 0.47
CA2 P00918 1/20 0.46
UTS2R Q9UKP6 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL5340167 0.86 MTNR1A (0.71) MTNR1AMTNR1B
SCHEMBL8882361 0.83 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL4323833 0.83 KEAP1 (0.63) MTNR1AMTNR1BKEAP1NFE2L2MAPT
SCHEMBL7017969 0.82 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL27508400 0.82 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL6076677 0.82 MTNR1A (0.72) MTNR1AMTNR1BKEAP1NFE2L2MAPT
SCHEMBL7018436 0.81 MTNR1A (0.68) MTNR1AMTNR1B
SCHEMBL7241794 0.81 MTNR1A (0.64) MTNR1AMTNR1B
SCHEMBL7021068 0.80 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL7021548 0.80 MTNR1A (0.67) MTNR1AMTNR1B

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 5 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

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 414/4885KEAP1 1708/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885KEAP1 1708/4885

“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.