SCHEMBL5337964

SCHEMBL5337964

O=C(CC1CC1)NCC1COc2ccc3ccc(I)cc3c2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.55
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
AIMP2 Q13155 1/20 0.32
HPGD P15428 4/20 0.32
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 3/20 0.31
KMT2A Q03164 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
ERCC1 P07992 1/20 0.30
ERCC4 Q92889 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
HSD17B10 Q99714 2/20 0.30
TSHR P16473 1/20 0.30
NPC1 O15118 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
SCHEMBL27532989 0.90 MTNR1A (0.53) MTNR1AAIMP2ALDH1A1KDM4EKMT2A
SCHEMBL5336888 0.88 MTNR1A (0.56) MTNR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL5342354 0.87 MTNR1A (0.55) MTNR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL5339473 0.87 MTNR1A (0.55) MTNR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL5229686 0.85 MTNR1A (0.78) MTNR1AHPGDALDH1A1KDM4EKMT2A
SCHEMBL5345036 0.80 MTNR1A (0.48) MTNR1AHPGDALDH1A1KMT2AITGB3
SCHEMBL5340002 0.79 MTNR1A (0.47) MTNR1AKMT2ATRPV1ITGB3ITGA2B
SCHEMBL27532937 0.77 MTNR1A (0.53) MTNR1AAIMP2ALDH1A1KDM4EKMT2A
SCHEMBL5231199 0.69 MTNR1A (0.75) MTNR1AKDM4EKMT2AHSD17B10
SCHEMBL5334595 0.68 MTNR1A (0.70) MTNR1ATRPV1ITGB3ITGA2B

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.