SCHEMBL3087044

SCHEMBL3087044

CN(CCc1ccc(Cl)c(C=O)c1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
SIGMAR1 Q99720 5/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
PDK2 Q15119 1/20 0.34
CDK1 P06493 1/20 0.34
KCNH2 Q12809 1/20 0.34
ESRRG P62508 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3080815 0.88 HTR2C (0.40) MEN1ALDH1A1MAPTKMT2AHTR2C
SCHEMBL3081036 0.86 TSHR (0.36) CDK8CLK4SIGMAR1MEN1ALDH1A1
SCHEMBL1750630 0.83 SMYD2 (0.36) SIGMAR1
SCHEMBL1751745 0.82 SIGMAR1 (0.34) CDK8CLK4SIGMAR1MEN1ALDH1A1
SCHEMBL4700343 0.82 CDK8 (0.43) CDK8CLK4SIGMAR1MEN1ALDH1A1
SCHEMBL3084246 0.81 CDK8 (0.42) CDK8CLK4CCNE2CCNE1CDK2
SCHEMBL2237122 0.79 ESRRG (0.40) ALDH1A1MAPTKMT2APDK2ESRRG
SCHEMBL30954590 0.79 AOC3 (0.47) CCNE2CCNE1CDK2ALDH1A1CYP1A2
SCHEMBL30954592 0.79 AOC3 (0.47) CCNE2CCNE1CDK2ALDH1A1CYP1A2
SCHEMBL3091659 0.78 HDAC3 (0.39) MEN1ALDH1A1MAPTKMT2ALMNA

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
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES BEZENCON OLIVIER 2010-12-23 US disclosed
US-7799805-B2 Piperidine carboxylic acid amide derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-21 US disclosed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 US disclosed
EP-1893578-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2006129237-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-07 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 (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-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives REN, ACE, AGTR2 CDK8 735/4885CLK4 2907/4885CCNE2 2844/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 CDK8 944/4885CLK4 2664/4885CCNE2 3059/4885

“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.