SCHEMBL3095965

SCHEMBL3095965

CC(C)(C)OC(=O)N(Cc1ccc(Cl)c(CO[Si](C)(C)C(C)(C)C)c1)CC1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.34
LPAR5 Q9H1C0 3/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
TAS2R14 Q9NYV8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
S1PR1 P21453 1/20 0.32
CNR2 P34972 1/20 0.32
WDR5 P61964 2/20 0.32
BACE1 P56817 1/20 0.32
CXCR3 P49682 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL3079714 0.87 HDAC3 (0.38) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL3092565 0.85 S1PR1 (0.38) LPAR1LPAR5HDAC3HDAC1HDAC2
SCHEMBL1752399 0.84 REN (0.38)
SCHEMBL1751218 0.84 SSTR4 (0.35) HDAC3HDAC1HDAC2NCOR2BACE1
SCHEMBL1750843 0.83 LPAR1 (0.35) LPAR1LPAR5HDAC3HDAC1HDAC2
SCHEMBL3075616 0.83 HTR2C (0.39) MEN1KMT2ABACE1HTR2CSLC6A4
SCHEMBL3080082 0.80 ALDH1A1 (0.37) LPAR1LPAR5HDAC3HDAC1HDAC2
SCHEMBL3087622 0.79 ADRB3 (0.35) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL1750783 0.79 REN (0.35)
SCHEMBL3092581 0.78 LPAR1 (0.37) LPAR1LPAR5HDAC3HDAC1HDAC2

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 LPAR1 2537/4885LPAR5 1488/4885HDAC3 69/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 LPAR1 2344/4885LPAR5 1174/4885HDAC3 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.