SCHEMBL5335065

SCHEMBL5335065

CC(=O)NCCc1c[nH]c2ncc(Br)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.70
MTNR1B P49286 15/20 0.70
CYP1A2 P05177 4/20 0.51
BLM P54132 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
NOTUM Q6P988 3/20 0.51
KDM4E B2RXH2 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
HPGD P15428 3/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 1/20 0.51
IDO1 P14902 1/20 0.51
SPR P35270 1/20 0.51

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
SCHEMBL5346189 0.85 MTNR1A (0.71) MTNR1AMTNR1BCYP1A2BLMMEN1
SCHEMBL5339263 0.84 MTNR1A (0.70) MTNR1AMTNR1BCYP1A2BLMMEN1
SCHEMBL5342288 0.84 MTNR1A (0.70) MTNR1AMTNR1BCYP1A2BLMMEN1
SCHEMBL5339464 0.83 SPR (0.55) MTNR1AMTNR1BKMT2AALDH1A1SPR
SCHEMBL8135627 0.82 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2BLMMEN1
SCHEMBL5351287 0.82 ALDH1A1 (0.60) MTNR1AMTNR1BMEN1KMT2AHPGD
SCHEMBL5337574 0.81 MTNR1A (0.65) MTNR1AMTNR1BCYP1A2BLMMEN1
SCHEMBL8134979 0.80 MTNR1A (0.64) MTNR1AMTNR1BCYP1A2BLMMEN1
SCHEMBL5341214 0.79 MTNR1A (0.69) MTNR1AMTNR1BCYP1A2BLMMEN1
SCHEMBL5337078 0.79 MTNR1A (0.63) MTNR1AMTNR1BCYP1A2BLMMEN1

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 8 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-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-1058967-C Novel pyridine compounds, processes for their preparation and pharmaceutical compositions which contain them ADIR (FR) 2000-11-29 CN disclosed
EP-0737685-B1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-07-19 EP disclosed
CN-1139111-A Novel pyridine compounds, processes for their preparation and pharmaceutical compositions which contain them ADIR (FR) 1997-01-01 CN disclosed
EP-0737685-A1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-10-16 EP 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 (2 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 325/4885CYP1A2 46/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R MTNR1A 409/4885MTNR1B 340/4885CYP1A2 52/4885

“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.