SCHEMBL5346149

SCHEMBL5346149

CC(=O)NCC1=c2ccc(Br)cc2=COC1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.36
MTNR1B P49286 2/20 0.36
SETDB1 Q15047 1/20 0.35
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NQO2 P16083 1/20 0.32
ELANE P08246 1/20 0.32
HDAC4 P56524 2/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5351841 0.87 MTNR1A (0.34) MTNR1AMTNR1BKMT2AHPGDKDM4E
SCHEMBL5344354 0.87 L3MBTL1 (0.39) KMT2AHPGDKDM4EGAAMEN1
SCHEMBL5336709 0.86 MTNR1A (0.33) MTNR1AKMT2AELANENPSR1
SCHEMBL6076964 0.81 MCL1 (0.34) MTNR1AMTNR1BKMT2AKDM4EALDH1A1
SCHEMBL5338376 0.75 CYP2C19 (0.43) KMT2AHPGDKDM4EMAPTALDH1A1
SCHEMBL5341913 0.74 CYP3A4 (0.39) KMT2AHPGDKDM4EHDAC4GAA
SCHEMBL5346060 0.69 TRPV1 (0.36) KMT2AHPGDMAPTALDH1A1MEN1
SCHEMBL21154620 0.63 MTNR1A (0.39) MTNR1AMTNR1BSETDB1KMT2AKDM4E
SCHEMBL171850 0.60 NPC1 (0.55) MTNR1AMTNR1BKMT2AHPGDMAPT
SCHEMBL540605 0.59 SETDB1 (0.57) MTNR1AMTNR1BSETDB1KMT2AHPGD

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 10 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-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
EP-1077927-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
WO-1999058495-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 WO 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 (3 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-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R MTNR1A 388/4885MTNR1B 325/4885SETDB1 2440/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885SETDB1 1833/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R MTNR1A 409/4885MTNR1B 340/4885SETDB1 2614/4885

“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.