SCHEMBL3093489

SCHEMBL3093489

CN(Cc1cccc(C(C)(C)O[SiH2]C(C)(C)C)c1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.43
HTR2C P28335 2/20 0.41
SLC6A4 P31645 2/20 0.41
AOC3 Q16853 8/20 0.40
RIPK1 Q13546 3/20 0.38
MGLL Q99685 1/20 0.37
ABHD6 Q9BV23 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL3075618 0.79 HTR2C (0.38) GLSHTR2CSLC6A4AOC3RIPK1
SCHEMBL1831339 0.78 GLS (0.50) GLSHTR2CSLC6A4AOC3RIPK1
SCHEMBL30264842 0.78 HSP90AA1 (0.49) GLSHTR2CSLC6A4AOC3RIPK1
SCHEMBL7021352 0.78 GLS (0.53) GLSHTR2CSLC6A4AOC3RIPK1
SCHEMBL16942777 0.78 HSD17B2 (0.53) GLSHTR2CSLC6A4RIPK1
SCHEMBL14426297 0.78 HSP90AA1 (0.49) GLSHTR2CSLC6A4AOC3RIPK1
SCHEMBL2228851 0.77 HSD11B1 (0.51) GLSHTR2CSLC6A4AOC3RIPK1
SCHEMBL2176070 0.77 RIPK1 (0.63) GLSHTR2CSLC6A4AOC3RIPK1
SCHEMBL27440203 0.77 GLS (0.49) GLSHTR2CSLC6A4AOC3RIPK1
SCHEMBL4742321 0.77 CYP1A2 (0.57)

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 GLS 7/4885HTR2C 2669/4885SLC6A4 2410/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 GLS 4/4885HTR2C 1693/4885SLC6A4 1449/4885

“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.