SCHEMBL5339908

SCHEMBL5339908

O=C(NCCc1c[nH]c2ncc(O)cc12)C1CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.65
MTNR1A P48039 9/20 0.52
MTNR1B P49286 5/20 0.52
ALDH1A1 P00352 2/20 0.52
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
HTR1A P08908 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
IDO1 P14902 1/20 0.43
HPGD P15428 1/20 0.43
BLM P54132 1/20 0.43
NOTUM Q6P988 1/20 0.43

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
SCHEMBL6076414 0.95 SPR (0.60) SPRMTNR1AMTNR1BALDH1A1BCHE
SCHEMBL5339464 0.87 SPR (0.55) SPRMTNR1AMTNR1BALDH1A1BCHE
SCHEMBL5340496 0.87 SPR (0.55) SPRMTNR1AMTNR1BALDH1A1BCHE
SCHEMBL5335667 0.87 SPR (0.55) SPRMTNR1AMTNR1BALDH1A1BCHE
SCHEMBL6745683 0.82 MTNR1A (0.56) SPRMTNR1AMTNR1BALDH1A1BCHE
SCHEMBL5346189 0.82 MTNR1A (0.71) SPRMTNR1AMTNR1BALDH1A1HTR1A
SCHEMBL5341340 0.81 MTNR1A (0.56) SPRMTNR1AMTNR1BALDH1A1BCHE
SCHEMBL5335786 0.81 SPR (0.49) SPRMTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL7106560 0.80 MTNR1A (0.55) SPRMTNR1AMTNR1BALDH1A1HTR2C
SCHEMBL27525263 0.79 MTNR1A (0.69) SPRMTNR1AMTNR1BALDH1A1BCHE

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123529-A1 Substituted biphenyl compounds LES LABORATOIRES SERVIER (FR) 2007-05-31 US disclosed
US-7183318-B2 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2007-02-27 US disclosed
US-7161035-B2 Substituted biphenyl derivatives, method for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2007-01-09 US disclosed
CN-1233621-C Substituted biphenyl derivatives, method for preparing same and pharmaceutical compositions containing same SERVIER LAB (FR) 2005-12-28 CN disclosed
US-20040014969-A1 Substituted biphenyl derivatives, method for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2004-01-22 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
CN-1457337-A Substituted biphenyl derivatives, method for preparing same and pharmaceutical compositions containing same SERVIER LAB (FR) 2003-11-19 CN disclosed
CN-1128142-C Novel substituted dipolymer compounds, prepn. method therefor, pharmaceutical compositions contg. same ADIR (FR) 2003-11-19 CN disclosed
US-6605632-B1 Affinity for melatonin receptors LES LABORATOIRES SERVIER (FR) 2003-08-12 US disclosed
EP-1057826-B1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-04-16 EP disclosed
US-6310074-B1 TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-10-30 US disclosed
EP-1057826-A1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-12-06 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 (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-20040014969-A1 Substituted biphenyl derivatives, method for preparing same and pharmaceutical compositions containing same MTNR1A, MTNR1B, MC2R SPR 1301/4885MTNR1A 1/4885MTNR1B 2/4885
US-20070123529-A1 Substituted biphenyl compounds MTNR1A, MTNR1B, CNR1 SPR 1144/4885MTNR1A 1/4885MTNR1B 2/4885
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R SPR 2722/4885MTNR1A 388/4885MTNR1B 325/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R SPR 2609/4885MTNR1A 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.