SCHEMBL1751379

SCHEMBL1751379

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
BACE1 P56817 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX5 P09917 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PPARA Q07869 1/20 0.33
CA2 P00918 1/20 0.33
USP14 P54578 1/20 0.32
IDO1 P14902 4/20 0.32
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31
TSHR P16473 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
CDK1 P06493 1/20 0.30
KDR P35968 1/20 0.30
KMT2A Q03164 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
SCHEMBL661775 0.89 USP14 (0.35) FFAR1FFAR4BACE1MAPTUSP14
SCHEMBL5871909 0.87 BACE1 (0.36) BACE1KDM4EALDH1A1ALOX5GAA
SCHEMBL662526 0.86 TAAR1 (0.46) BACE1KDM4EIDO1TSHR
SCHEMBL3075604 0.84 HTR1A (0.41) KDM4EALDH1A1MAPTTSHR
SCHEMBL1068953 0.83 BACE1 (0.31) BACE1
SCHEMBL6120098 0.83 FFAR4 (0.34) FFAR4BACE1KDM4EALDH1A1ALOX5
SCHEMBL1751844 0.83 CSNK2A1 (0.38) BACE1IDO1
SCHEMBL13582483 0.83 BACE1 (0.35) FFAR1FFAR4BACE1KDM4EALDH1A1
SCHEMBL1750508 0.82 KDM4E (0.46) KDM4EALDH1A1MAPTTRPV1
SCHEMBL3089007 0.82 TSHR (0.43) BACE1ALDH1A1GAACA2TSHR

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 FFAR1 1178/4885FFAR4 1294/4885BACE1 2111/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 FFAR1 1269/4885FFAR4 1447/4885BACE1 1789/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 FFAR1 3272/4885FFAR4 4093/4885BACE1 165/4885

“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.