SCHEMBL5336348

SCHEMBL5336348

CCOC(=O)CNC(=O)c1ccc2c(c1)C(CCNC(=O)Cc1ccccc1)CCO2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
NPC1 O15118 3/20 0.54
TP53 P04637 1/20 0.54
GLA P06280 1/20 0.54
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
BRCA1 P38398 1/20 0.41
KLF5 Q13887 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.40
PAX8 Q06710 1/20 0.40
PTGDR2 Q9Y5Y4 9/20 0.40
SLC8A1 P32418 1/20 0.38

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
SCHEMBL5419149 0.89 KDM4E (0.50) RAB9ANPC1MTNR1AMTNR1BKLF5
SCHEMBL5422646 0.87 RAB9A (0.44) RAB9ANPC1MTNR1AMTNR1BKLF5
SCHEMBL5227713 0.79 HTR1A (0.59) NPC1MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL5346153 0.79 MTNR1A (0.47) RAB9ANPC1MTNR1AMTNR1BALDH1A1
SCHEMBL5341367 0.78 MTNR1A (0.45) RAB9ANPC1MTNR1AMTNR1BALDH1A1
SCHEMBL5337503 0.78 MTNR1A (0.45) RAB9ANPC1MTNR1AMTNR1BALDH1A1
SCHEMBL5227718 0.74 HTR1A (0.59) NPC1MTNR1AMTNR1BPTGDR2
SCHEMBL6077448 0.73 SMN1; SMN2 (0.43) RAB9ANPC1MTNR1AMTNR1BALDH1A1
SCHEMBL5346158 0.73 MTNR1A (0.44) RAB9ANPC1MTNR1AMTNR1BALDH1A1
SCHEMBL6075931 0.73 MTNR1A (0.42) RAB9ANPC1MTNR1AMTNR1BALDH1A1

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 4 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

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 RAB9A 671/4885NPC1 1051/4885TP53 3709/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R RAB9A 697/4885NPC1 1170/4885TP53 3668/4885

“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.