SCHEMBL1751844

SCHEMBL1751844

CC(C)(C)[Si](C)(C)OCc1cc(CN)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 10/20 0.38
IDO1 P14902 4/20 0.37
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
LOX P28300 1/20 0.33
LOXL3 P58215 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
BACE1 P56817 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
PNMT P11086 1/20 0.32
MAOB P27338 1/20 0.31

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
SCHEMBL662526 0.89 TAAR1 (0.46) IDO1BACE1PNMTMAOB
SCHEMBL661775 0.85 USP14 (0.35) IDO1BACE1MRGPRX4
SCHEMBL662525 0.83 HTR2A (0.40) BACE1MRGPRX4
SCHEMBL1751379 0.83 FFAR1 (0.34) IDO1BACE1
SCHEMBL18149538 0.82 CYP3A4 (0.37) IDO1BACE1
SCHEMBL662821 0.82 IDO1 (0.31) IDO1BACE1
SCHEMBL3092953 0.81 HTR1A (0.42) BACE1
SCHEMBL3075604 0.81 HTR1A (0.41)
SCHEMBL1751423 0.80 CYP1A2 (0.36)
SCHEMBL23604474 0.80 BACE1 (0.41) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US disclosed
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-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 US disclosed
EP-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP disclosed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 US disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 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 (3 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 CSNK2A1 2621/4885IDO1 2805/4885CSNK2A2 2839/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 CSNK2A1 2654/4885IDO1 2142/4885CSNK2A2 2912/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 CSNK2A1 1382/4885IDO1 1442/4885CSNK2A2 1366/4885

“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.