SCHEMBL345722

SCHEMBL345722

Cn1ncnc1COC(=O)NCCC1CCN(c2ccc3cc(Cl)ccc3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
PDE10A Q9Y233 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MCHR1 Q99705 1/20 0.38
SUV39H2 Q9H5I1 2/20 0.38
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 2/20 0.38
SIRT3 Q9NTG7 2/20 0.38
ACACB O00763 3/20 0.37
SCD O00767 2/20 0.36
ACACA Q13085 2/20 0.36
KCNH2 Q12809 1/20 0.35
PPARG P37231 3/20 0.35
PPARD Q03181 3/20 0.35
PPARA Q07869 2/20 0.35
CHRM4 P08173 2/20 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
SCHEMBL3268724 0.81 FAAH (0.45) HTR3AHRH4PDE10AHRH3MCHR1
SCHEMBL239896 0.81 HRH3 (0.46) HTR3AHRH4PDE10AHRH3MCHR1
SCHEMBL344703 0.80 HRH3 (0.41) HTR3AHRH4PDE10AHRH3MCHR1
SCHEMBL344433 0.80 HRH3 (0.41) HTR3AHRH4PDE10AHRH3MCHR1
SCHEMBL345825 0.79 HRH3 (0.39) HTR3AHRH4PDE10AHRH3MCHR1
SCHEMBL344784 0.79 HRH3 (0.41) HTR3AHRH4PDE10AHRH3MCHR1
SCHEMBL346022 0.79 HRH3 (0.39) HTR3AHRH4PDE10AHRH3MCHR1
SCHEMBL345081 0.79 ACACB (0.41) HTR3AHRH4PDE10AHRH3MCHR1
SCHEMBL346050 0.79 HRH3 (0.56) HTR3AHRH4PDE10AHRH3MCHR1
SCHEMBL346157 0.78 MAPT (0.41) HTR3AHRH4PDE10AHRH3MCHR1

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 HTR3A 2763/4885HRH4 72/4885PDE10A 1799/4885

“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.