SCHEMBL345825

SCHEMBL345825

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
SCD O00767 2/20 0.39
PDE10A Q9Y233 2/20 0.39
PDE2A O00408 1/20 0.37
ACACB O00763 4/20 0.37
ACACA Q13085 3/20 0.37
MCHR1 Q99705 1/20 0.37
SUV39H2 Q9H5I1 2/20 0.37
KCNH2 Q12809 1/20 0.36
MAP4K4 O95819 1/20 0.35
RAB9A P51151 2/20 0.35
CHRM4 P08173 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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) HRH3HTR3AHRH4SCDPDE10A
SCHEMBL345088 0.91 PDE10A (0.44) HRH3SCDPDE10APDE2AACACB
SCHEMBL344784 0.91 HRH3 (0.41) HRH3HTR3AHRH4SCDPDE10A
SCHEMBL346022 0.90 HRH3 (0.39) HRH3HTR3AHRH4SCDPDE10A
SCHEMBL345081 0.90 ACACB (0.41) HRH3HTR3AHRH4SCDPDE10A
SCHEMBL344986 0.88 SMN1; SMN2 (0.40) HRH3HTR3AHRH4SCDPDE10A
SCHEMBL3268724 0.83 FAAH (0.45) HRH3HTR3AHRH4SCDPDE10A
SCHEMBL13260040 0.81 HRH3 (0.38) HRH3HTR3AHRH4PDE10APDE2A
SCHEMBL345765 0.81 HRH3 (0.41) HRH3HTR3AHRH4PDE10AMCHR1
SCHEMBL345436 0.81 PDE10A (0.40) HRH3SCDPDE10APDE2AACACB

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.