SCHEMBL5337505

SCHEMBL5337505

O=C(Cc1ccccc1)NCCC1CCOc2cc(I)ccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
MTNR1A P48039 6/20 0.43
MTNR1B P49286 6/20 0.43
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 1/20 0.40
KCNH2 Q12809 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL5337503 0.92 MTNR1A (0.45) SIGMAR1MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL5346158 0.88 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1HPGDNPC1
SCHEMBL5341369 0.87 KDM4C (0.47) SIGMAR1MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL5227718 0.85 HTR1A (0.59) MTNR1AMTNR1BNPC1HTR1A
SCHEMBL6077449 0.82 SMN1; SMN2 (0.43) MTNR1AMTNR1BALDH1A1HPGDNPC1
SCHEMBL5346153 0.82 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1HPGDNPC1
SCHEMBL6075934 0.81 CA1 (0.39) MTNR1AMTNR1BALDH1A1HPGDNPC1
SCHEMBL5341367 0.81 MTNR1A (0.45) SIGMAR1MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL5227713 0.78 HTR1A (0.59) MTNR1AMTNR1BALDH1A1NPC1HTR1A
SCHEMBL5419149 0.77 KDM4E (0.50) MTNR1AMTNR1BHPGDNPC1RAB9A

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 11 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
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 (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 SIGMAR1 618/4885MTNR1A 465/4885MTNR1B 414/4885
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R SIGMAR1 736/4885MTNR1A 388/4885MTNR1B 325/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR SIGMAR1 618/4885MTNR1A 465/4885MTNR1B 414/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R SIGMAR1 794/4885MTNR1A 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.