SCHEMBL6077094

SCHEMBL6077094

CC(=O)NC1CCc2c(C)ccc(Br)c2C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.49
MTNR1B P49286 7/20 0.49
CYP1A2 P05177 2/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
ACHE P22303 2/20 0.36
ALOX15 P16050 2/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL6075910 0.84 MTNR1A (0.50) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL6076711 0.79 MTNR1A (0.45) MTNR1AMTNR1BCYP1A2ALOX15MAPT
SCHEMBL14591350 0.77 MTNR1A (0.69) MTNR1AMTNR1BCYP1A2CA1CA2
SCHEMBL14591355 0.75 MTNR1A (0.71) MTNR1AMTNR1BCYP1A2CA1CA2
SCHEMBL7847638 0.74 CYP1A2 (0.46) CYP1A2ALOX15MAPT
SCHEMBL6081951 0.74 MTNR1A (0.48) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL10277925 0.71 MTNR1A (0.56) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL11496541 0.71 MTNR1A (0.72) MTNR1AMTNR1BCYP1A2CA1CA2
SCHEMBL23923734 0.69 CA1 (0.45) MTNR1AMTNR1BCYP1A2CA1CA2
SCHEMBL23923736 0.69 CA1 (0.45) MTNR1AMTNR1BCYP1A2CA1CA2

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 414/4885CYP1A2 245/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885CYP1A2 245/4885

“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.