SCHEMBL2469752

SCHEMBL2469752

C[SiH](C)C(C)(C)COCCCc1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.36
HTR2A P28223 1/20 0.35
KCNH2 Q12809 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
FKBP1A P62942 3/20 0.32
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HMOX1 P09601 1/20 0.31
IDO1 P14902 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
SCHEMBL2472169 0.90 TAAR1 (0.38) TAAR1HTR2AKCNH2PPARDPPARA
SCHEMBL481256 0.80 IDO1 (0.42) TAAR1IDO1
SCHEMBL2474079 0.78 KDM4E (0.49) SMN1; SMN2L3MBTL1
SCHEMBL28893555 0.77 TAAR1 (0.50) TAAR1HTR2AKCNH2SIGMAR1HRH3
SCHEMBL27624210 0.76 TAAR1 (0.39) TAAR1IDO1
SCHEMBL2130427 0.74 RAB9A (0.49) TAAR1HTR2AKCNH2SIGMAR1NPC1
SCHEMBL4263497 0.73 TAAR1 (0.42) TAAR1HTR2ASIGMAR1PPARDPPARA
SCHEMBL1812319 0.73 TAAR1 (0.44) TAAR1SIGMAR1IDO1
SCHEMBL2140584 0.72 KCNH2 (0.45) TAAR1KCNH2SIGMAR1NPC1RAB9A
SCHEMBL2466724 0.72 PPARD (0.35) TAAR1HTR2AKCNH2SIGMAR1PPARD

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501830-B1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-05 EP 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-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS, LTD. (CH) 2008-12-18 US disclosed
US-20080234305-A1 Novel Tetrahydropyridine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-25 US disclosed
US-7427613-B2 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension, cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-23 US disclosed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 US disclosed
EP-1620403-B1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-11-28 EP disclosed
US-20070142363-A1 Novel diazabicyclonene derivatives and use thereof ACTELION PHARMACEUTICALS LTD (CH) 2007-06-21 US disclosed
US-20070135406-A1 Diazabicyclononene and tetrahydropyridine derivatives with a new side-chain ACTELION PHARMACEUTICALS LTD. (CH) 2007-06-14 US disclosed
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2004105762-A1 MEDICAL USE OF DIAZABICYCLONONENE DERIVATIVES AS INHIBITORS OF PARASITE ASPARTIC PROTEASES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO disclosed
WO-2004105738-A2 USE OF TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO disclosed
WO-2004096366-A1 9-AZABICYCLO’3.3.1!NON-6-EE DERIVATIVES WITH A HETEROATOM AT THE 3-POSITION AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed
WO-2004096769-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed
WO-2004096799-A1 TROPANE DERIVATIVES AND THEIR USE AS ACE INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed
WO-2004096803-A1 AZABICYCLONONENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 WO disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 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 (6 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 TAAR1 1341/4885HTR2A 2555/4885KCNH2 1032/4885
US-20070135406-A1 Diazabicyclononene and tetrahydropyridine derivatives with a new side-chain REN, ACE, ACE2 TAAR1 2763/4885HTR2A 1618/4885KCNH2 286/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 TAAR1 679/4885HTR2A 1616/4885KCNH2 923/4885
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES REN, AGTR1, ACE TAAR1 1785/4885HTR2A 3307/4885KCNH2 595/4885
US-20080234305-A1 Novel Tetrahydropyridine Derivatives REN, AGTR1, CBR1 TAAR1 33/4885HTR2A 577/4885KCNH2 214/4885
US-20070142363-A1 Novel diazabicyclonene derivatives and use thereof REN, ACE, PEPD TAAR1 3802/4885HTR2A 1944/4885KCNH2 2454/4885

“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.