Sugi Predict

Sugi Predict / Compounds / SCHEMBL3087626

SCHEMBL3087626

SCHEMBL3087626

CCN(CCc1ccc(Cl)c(C(C)(C)O[SiH2]C(C)(C)C)c1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.34
▸ HDAC1 Q13547 3/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ NCOR2 Q9Y618 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AHCY P23526 1/20 0.32
▸ NAMPT P43490 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTR1A P08908 1/20 0.30
▸ HTR1D P28221 1/20 0.30

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
SCHEMBL3079715 0.90 HDAC3 (0.37) HDAC1HDAC3HDAC2NCOR2MEN1
SCHEMBL1751386 0.88 SIGMAR1 (0.33) SIGMAR1MEN1ALDH1A1TP53CYP1A2
SCHEMBL3084245 0.87 CDK8 (0.38) SIGMAR1MEN1ALDH1A1TP53CYP1A2
SCHEMBL1751219 0.83 PYCR1 (0.34) HDAC1HDAC3HDAC2NCOR2SSTR4
SCHEMBL1750784 0.83 REN (0.34) SIGMAR1MEN1ALDH1A1TP53CYP1A2
SCHEMBL3075618 0.81 HTR2C (0.38) MEN1ALDH1A1KMT2A
SCHEMBL1750844 0.80 LPAR1 (0.34) HDAC1HDAC3HDAC2NCOR2
SCHEMBL3095967 0.80 LPAR1 (0.35) HDAC1HDAC3HDAC2NCOR2MEN1
SCHEMBL3080688 0.78 TSHR (0.36) SIGMAR1HDAC1HDAC3HDAC2NCOR2
SCHEMBL1752401 0.77 HTR2A (0.38) HDAC3HTR2A

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 SIGMAR1 1677/4885HDAC1 82/4885HDAC3 69/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 SIGMAR1 1326/4885HDAC1 219/4885HDAC3 224/4885

“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.