SCHEMBL345439

SCHEMBL345439

CC(C)Cc1ccc(N2CCC(CCN)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.45
PTPN11 Q06124 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PANK3 Q9H999 1/20 0.39
ENPP1 P22413 1/20 0.38
AOC3 Q16853 4/20 0.37
GPR119 Q8TDV5 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ABL1 P00519 1/20 0.36
DGAT1 O75907 1/20 0.35
CHRM4 P08173 1/20 0.35
MAPT P10636 1/20 0.35
TNF P01375 1/20 0.35
STAT3 P40763 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
SCHEMBL345328 0.83 PTPN11 (0.42) ENPP2PTPN11HRH3ENPP1AOC3
SCHEMBL1728880 0.80 CHRM4 (0.49) ENPP2PANK3LMNACHRM4MAPT
SCHEMBL14367676 0.79 AOC3 (0.47) HRH3MEN1KMT2APANK3AOC3
SCHEMBL345491 0.78 ENPP2 (0.43) ENPP2HRH3PANK3GPR119DGAT1
SCHEMBL1727916 0.78 ENPP2 (0.45) ENPP2HRH3PANK3AOC3GPR119
SCHEMBL8252773 0.78 AOC3 (0.48) MEN1KMT2APANK3AOC3LMNA
SCHEMBL345209 0.77 PDE10A (0.49) PTPN11PANK3ENPP1ROCK2ROCK1
SCHEMBL8245080 0.75 CYP11B1 (0.56) MEN1KMT2APANK3AOC3LMNA
SCHEMBL23891926 0.74 JAK2 (0.40) PTPN11HRH3KMT2AAOC3GPR119
SCHEMBL1727578 0.74 ENPP2 (0.42) ENPP2HRH3PANK3AOC3DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356108-B1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-15 EP disclosed
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
EP-2356108-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-08-17 EP disclosed
WO-2010055267-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-05-20 WO 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 ENPP2 3085/4885PTPN11 1433/4885HRH3 50/4885

“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.