SCHEMBL346022

SCHEMBL346022

CN(C)C(=O)c1cc(COC(=O)NCCC2CCN(c3ccc4cc(Cl)ccc4n3)CC2)on1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
PDE10A Q9Y233 1/20 0.38
ACACB O00763 5/20 0.38
ACACA Q13085 4/20 0.38
KCNH2 Q12809 1/20 0.37
SCD O00767 2/20 0.37
SUV39H2 Q9H5I1 2/20 0.36
MCHR1 Q99705 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
ENPP2 Q13822 1/20 0.36

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
SCHEMBL344703 0.91 HRH3 (0.41) HRH3HTR3AHRH4PDE10AACACB
SCHEMBL345825 0.90 HRH3 (0.39) HRH3HTR3AHRH4PDE10AACACB
SCHEMBL344784 0.90 HRH3 (0.41) HRH3HTR3AHRH4PDE10AACACB
SCHEMBL345081 0.89 ACACB (0.41) HRH3HTR3AHRH4PDE10AACACB
SCHEMBL344986 0.87 SMN1; SMN2 (0.40) HRH3HTR3AHRH4PDE10AKCNH2
SCHEMBL345088 0.81 PDE10A (0.44) HRH3PDE10AACACBACACAKCNH2
SCHEMBL345765 0.81 HRH3 (0.41) HRH3HTR3AHRH4PDE10AMCHR1
SCHEMBL345436 0.80 PDE10A (0.40) HRH3PDE10AACACBACACASCD
SCHEMBL3268724 0.80 FAAH (0.45) HRH3HTR3AHRH4PDE10AACACB
SCHEMBL239896 0.79 HRH3 (0.46) HRH3HTR3AHRH4PDE10AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 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 (1 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A HRH3 50/4885HTR3A 2763/4885HRH4 72/4885

“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.