SCHEMBL5336253

SCHEMBL5336253

CC(=O)NCCc1c(Cc2ccc(F)cc2)n(C)c2ncc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.41
MTNR1A P48039 10/20 0.40
MTNR1B P49286 9/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CNR1 P21554 3/20 0.37
NOTUM Q6P988 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
SCHEMBL5344485 0.89 MTNR1A (0.43) MTNR1AMTNR1BNPC1RAB9ANOTUM
SCHEMBL5340639 0.88 MTNR1A (0.40) MTNR1AMTNR1BNPC1RAB9ANOTUM
SCHEMBL6075849 0.88 MTNR1A (0.40) MTNR1AMTNR1BNPC1RAB9ANOTUM
SCHEMBL5335717 0.88 MTNR1A (0.40) MTNR1AMTNR1BNPC1RAB9ANOTUM
SCHEMBL6076336 0.87 MTNR1A (0.38) MTNR1AMTNR1BNPC1RAB9ANOTUM
SCHEMBL6076333 0.87 MTNR1A (0.38) MTNR1AMTNR1BNPC1RAB9ANOTUM
SCHEMBL8137801 0.86 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL5351402 0.84 MTNR1A (0.39) MTNR1AMTNR1BNPC1RAB9A
SCHEMBL6076079 0.80 PLA2G7 (0.41) MTNR1AMTNR1BNPC1RAB9APTGDR2
SCHEMBL5352068 0.79 EGFR (0.44) MTNR1AMTNR1BNPC1RAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183318-B2 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2007-02-27 US disclosed
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
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-6605632-B1 Affinity for melatonin receptors LES LABORATOIRES SERVIER (FR) 2003-08-12 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 (4 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 CNR2 140/4885MTNR1A 465/4885MTNR1B 414/4885
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R CNR2 55/4885MTNR1A 388/4885MTNR1B 325/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR CNR2 140/4885MTNR1A 465/4885MTNR1B 414/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R CNR2 49/4885MTNR1A 409/4885MTNR1B 340/4885

“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.