SCHEMBL5339473

SCHEMBL5339473

Nc1ccc2ccc3c(c2c1)CC(CNC(=O)CC1CC1)CO3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.55
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
AIMP2 Q13155 1/20 0.32
HPGD P15428 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNB4 P30926 4/20 0.31
CHRNA3 P32297 4/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
F10 P00742 1/20 0.30

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
SCHEMBL5336888 0.88 MTNR1A (0.56) MTNR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL5337964 0.87 MTNR1A (0.55) MTNR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL5342354 0.87 MTNR1A (0.55) MTNR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL5229686 0.85 MTNR1A (0.78) MTNR1AHPGDKDM4EALDH1A1KMT2A
SCHEMBL5345036 0.80 MTNR1A (0.48) MTNR1AHPGDITGB3ITGA2BALDH1A1
SCHEMBL5340002 0.79 MTNR1A (0.47) MTNR1AITGB3ITGA2BKMT2ATRPV1
SCHEMBL27532937 0.77 MTNR1A (0.53) MTNR1AAIMP2KDM4EALDH1A1KMT2A
SCHEMBL27532989 0.77 MTNR1A (0.53) MTNR1AAIMP2KDM4EALDH1A1KMT2A
SCHEMBL5228827 0.71 MTNR1A (1.00) MTNR1A
SCHEMBL5231199 0.69 MTNR1A (0.75) MTNR1AKDM4EKMT2A

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 MTNR1A 465/4885ADRA2A 562/4885ADRA2B 1008/4885
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R MTNR1A 388/4885ADRA2A 100/4885ADRA2B 263/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885ADRA2A 562/4885ADRA2B 1008/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R MTNR1A 409/4885ADRA2A 94/4885ADRA2B 264/4885

“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.