SCHEMBL2474079

SCHEMBL2474079

C[SiH](C)C(C)(C)COCCOc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.42
DRD4 P21917 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
TSHR P16473 1/20 0.40
MAOB P27338 2/20 0.40
HSP90AB1 P08238 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CHRNA7 P36544 1/20 0.37
ATM Q13315 1/20 0.36
LTA4H P09960 1/20 0.36
PTGS2 P35354 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
SCHEMBL614620 0.86 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2DRD4DRD2
SCHEMBL1284438 0.83 MAOB (0.45) KDM4EALDH1A1SMN1; SMN2MAOBLMNA
SCHEMBL4738422 0.82 SMN1; SMN2 (0.39) KDM4EALDH1A1SMN1; SMN2TSHRHSP90AB1
SCHEMBL5688036 0.81 MAPT (0.40) KDM4EALDH1A1SMN1; SMN2TSHRHSP90AB1
SCHEMBL3365663 0.81 NSD2 (0.37) KDM4EALDH1A1SMN1; SMN2MAOBHSP90AB1
SCHEMBL20521473 0.81 KDM4E (0.33) KDM4EALDH1A1SMN1; SMN2MAOBHSP90AB1
SCHEMBL2472169 0.80 TAAR1 (0.38) KDM4EALDH1A1MAOB
SCHEMBL20569830 0.80 SLC6A2 (0.36) KDM4EALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL5240508 0.78 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL2469752 0.78 TAAR1 (0.36) SMN1; SMN2L3MBTL1

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 20 patents. 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-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-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-20070142363-A1 Novel diazabicyclonene derivatives and use thereof ACTELION PHARMACEUTICALS LTD (CH) 2007-06-21 US disclosed
US-20070135405-A1 Novel diazabicyclononene and tetrahydropyridine derivatives with a new polar side-chain ACTELION PHARMACEUTICALS LTD. (CH) 2007-06-14 US disclosed
US-20060217371-A1 Diazabicyclononene and tetrahydropyriddine derivatives as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-09-28 US disclosed
EP-1680427-A1 DIAZABICYCLONONENE AND TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-07-19 EP disclosed
EP-1678176-A1 DIAZABICYCLONONENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-07-12 EP disclosed
EP-1622906-A1 DIAZABICYCLONONENE AND TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-02-08 EP disclosed
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-12 US disclosed
US-20050176700-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) 2005-08-11 US disclosed
WO-2005040173-A1 DIAZABICYCLONONENE AND TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2005-05-06 WO disclosed
WO-2005040165-A1 DIAZABICYCLONONENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2005-05-06 WO 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-2004105738-A2 USE OF TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO 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-2004096804-A1 DIAZABICYCLONONENE AND TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS 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-20060217371-A1 Diazabicyclononene and tetrahydropyriddine derivatives as renin inhibitors REN, ACE, ACE2 KDM4E 2723/4885ALDH1A1 1137/4885SMN1; SMN2 4405/4885
US-20050176700-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 KDM4E 799/4885ALDH1A1 391/4885SMN1; SMN2 4592/4885
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 KDM4E 799/4885ALDH1A1 391/4885SMN1; SMN2 4592/4885
US-20070135405-A1 Novel diazabicyclononene and tetrahydropyridine derivatives with a new polar side-chain REN, ACE, ACE2 KDM4E 3131/4885ALDH1A1 1728/4885SMN1; SMN2 4623/4885
US-20070142363-A1 Novel diazabicyclonene derivatives and use thereof REN, ACE, PEPD KDM4E 3280/4885ALDH1A1 1565/4885SMN1; SMN2 4385/4885
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors REN, ACE, ACE2 KDM4E 1875/4885ALDH1A1 2056/4885SMN1; SMN2 4539/4885

“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.