SCHEMBL5344942

SCHEMBL5344942

Nc1ccc2cccc(CCNC(=O)CBr)c2c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.54
MTNR1A P48039 16/20 0.53
MTNR1B P49286 9/20 0.53
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL5345535 0.85 NQO2 (0.73) NQO2MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL5339356 0.85 NQO2 (0.55) NQO2MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL5339320 0.85 NQO2 (0.76) NQO2MTNR1AMTNR1B
SCHEMBL5339397 0.84 NQO2 (0.54) NQO2MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL3955906 0.84 MTNR1A (0.75) NQO2MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL5341352 0.84 MTNR1A (0.70) NQO2MTNR1AMTNR1B
SCHEMBL9424883 0.81 MTNR1A (0.80) NQO2MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL6211219 0.81 MTNR1A (0.58) NQO2MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL7020821 0.80 MTNR1A (0.76) MTNR1AMTNR1B
SCHEMBL5336506 0.77 NQO2 (0.47) NQO2MTNR1AMTNR1BHTR2CHTR2B

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 14 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
EP-1077927-B1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2005-12-07 EP disclosed
EP-1077928-B1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2005-12-07 EP 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
CN-1300277-A Novel substituted cyclic compounds, preparation method and pharmaceutical compositions containing them ADIR (FR) 2001-06-20 CN disclosed
EP-1077928-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
WO-1999058496-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 (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 NQO2 66/4885MTNR1A 465/4885MTNR1B 414/4885
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R NQO2 492/4885MTNR1A 388/4885MTNR1B 325/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR NQO2 66/4885MTNR1A 465/4885MTNR1B 414/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R NQO2 450/4885MTNR1A 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.