SCHEMBL2497096

SCHEMBL2497096

COc1ccccc1COCCCOc1ccc(Br)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.51
REN P00797 3/20 0.47
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
IDO1 P14902 2/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MAPT P10636 5/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
HPGD P15428 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL6728676 0.82 MAPT (0.52) ATMNPC1RAB9ASMN1; SMN2IDO1
SCHEMBL5710347 0.81 MAPT (0.51) ATMRENIDO1MAPTL3MBTL1
SCHEMBL6719951 0.79 L3MBTL1 (0.47) RENNPC1RAB9ASMN1; SMN2IDO1
SCHEMBL6721503 0.75 ALDH1A1 (0.51) ATMSMN1; SMN2IDO1HTR1AADRA1D
SCHEMBL6721507 0.74 SMN1; SMN2 (0.43) RENNPC1RAB9ASMN1; SMN2IDO1
SCHEMBL1941923 0.74 IDO1 (0.53) RENSMN1; SMN2IDO1HTR1AADRA1D
Hydrochloric Acid SCHEMBL2473227 0.73 IDO1 (0.54) RENSMN1; SMN2GAAIDO1HTR1A
SCHEMBL20233717 0.73 TDP1 (0.43) RENL3MBTL1TDP1GABRA5
SCHEMBL6720057 0.72 L3MBTL1 (0.51) ATMNPC1RAB9ASMN1; SMN2HTR1A
SCHEMBL5798261 0.71 IDO1 (0.53) IDO1HTR1AADRA1DADRA1AADRA1B

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-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-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-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-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-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-20070135405-A1 Novel diazabicyclononene and tetrahydropyridine derivatives with a new polar side-chain ACTELION PHARMACEUTICALS LTD. (CH) 2007-06-14 US disclosed
US-20070135406-A1 Diazabicyclononene and tetrahydropyridine derivatives with a new side-chain ACTELION PHARMACEUTICALS LTD. (CH) 2007-06-14 US disclosed
US-20070135406-A1 Diazabicyclononene and tetrahydropyridine derivatives with a new side-chain ACTELION PHARMACEUTICALS LTD. (CH) 2007-06-14 US disclosed
US-20070111989-A1 Novel diazabicyclononene derivatives and use ACTELION PHARMACEUTICALS LTD. (CH) 2007-05-17 US disclosed
US-20070111989-A1 Novel diazabicyclononene derivatives and use ACTELION PHARMACEUTICALS LTD. (CH) 2007-05-17 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-2005054244-A2 AZABICYCLOOCTENE AND OTHER TETRAHYDROPYRIDINE DERIVATIVES WITH A NEW SIDE-CHAIN ACTELION PHARMACEUTICALS LTD (CH) 2005-06-16 WO 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-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-20070111989-A1 Novel diazabicyclononene derivatives and use REN, ACE, AGTR1 ATM 4773/4885REN 1/4885NPC1 1922/4885
US-20070135406-A1 Diazabicyclononene and tetrahydropyridine derivatives with a new side-chain REN, ACE, ACE2 ATM 4544/4885REN 1/4885NPC1 3500/4885
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 ATM 4622/4885REN 1/4885NPC1 1326/4885
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 ATM 4622/4885REN 1/4885NPC1 1326/4885
US-20070135405-A1 Novel diazabicyclononene and tetrahydropyridine derivatives with a new polar side-chain REN, ACE, ACE2 ATM 4700/4885REN 1/4885NPC1 3054/4885
US-20070142363-A1 Novel diazabicyclonene derivatives and use thereof REN, ACE, PEPD ATM 4484/4885REN 1/4885NPC1 1713/4885

“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.