SCHEMBL5422646

SCHEMBL5422646

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 5/20 0.44
KLF5 Q13887 2/20 0.44
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.43
PAX8 Q06710 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
PTGDR2 Q9Y5Y4 6/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ACHE P22303 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL5419149 0.93 KDM4E (0.50) RAB9ANPC1KLF5HPGDHSD17B10
SCHEMBL5336348 0.87 RAB9A (0.54) RAB9ANPC1KLF5HPGDHSD17B10
SCHEMBL5346153 0.82 MTNR1A (0.47) RAB9ANPC1HPGDKDM4EMTNR1A
SCHEMBL5337503 0.81 MTNR1A (0.45) RAB9ANPC1HPGDKDM4EMTNR1A
SCHEMBL5341367 0.81 MTNR1A (0.45) RAB9ANPC1HPGDKDM4EMTNR1A
SCHEMBL5227713 0.79 HTR1A (0.59) NPC1MTNR1AMTNR1B
SCHEMBL6077448 0.77 SMN1; SMN2 (0.43) RAB9ANPC1HPGDKDM4EMTNR1A
SCHEMBL5346158 0.76 MTNR1A (0.44) RAB9ANPC1HPGDPTGDR2MTNR1A
SCHEMBL6075931 0.76 MTNR1A (0.42) RAB9ANPC1HPGDMTNR1AMTNR1B
SCHEMBL5337505 0.75 SIGMAR1 (0.44) RAB9ANPC1HPGDMTNR1AMTNR1B

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 1051/4885KLF5 3430/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R RAB9A 697/4885NPC1 1170/4885KLF5 3353/4885

“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.