SCHEMBL1471773

SCHEMBL1471773

Brc1ccc(OCCI)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
APP P05067 1/20 0.48
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
MAOB P27338 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LTA4H P09960 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
TSHR P16473 1/20 0.42
CHRNA7 P36544 1/20 0.42
NOS1 P29475 1/20 0.42

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
SCHEMBL24854638 0.87 KCNA3 (0.46) ALDH1A1APPDRD4DRD2DRD3
SCHEMBL6557649 0.85 MAOB (0.57) KDM4EALDH1A1APPDRD4DRD2
SCHEMBL13472002 0.85 ATM (0.50) KDM4EALDH1A1APPDRD4DRD2
SCHEMBL11563384 0.85 ATM (0.50) KDM4EALDH1A1APPDRD4DRD2
SCHEMBL18235025 0.82 DRD4 (0.57) KDM4EALDH1A1APPDRD4DRD2
SCHEMBL17445905 0.82 ATM (0.60) KDM4EALDH1A1APPDRD4DRD2
SCHEMBL2642306 0.81 KDM4E (0.48) KDM4EALDH1A1APPDRD4DRD2
SCHEMBL17465617 0.80 ATM (0.58) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL14031270 0.80 TSHR (0.58) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL3328295 0.80 APP (0.52) KDM4EALDH1A1APPDRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846407-B1 7-{4-[2-(2,6-DICHLORO-4-METHYLPHENOXY)ETHOXY]PHENYL}-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE-6-CARBOXYLIC ACID CYCLOPROPYL-(2,3-DIMETHYLBENZYL)AMIDE AS INHIBITOR OF RENIN FOR THE TREATMENT OF HYPERTENSION. ACTELION PHARMACEUTICALS LTD (CH) 2011-06-29 EP disclosed
US-7915259-B2 7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxylic acid cyclopropyl-(2,3-dimethylbenzyl)amide; retin inhibitor with other active ingredients; cardiovascular diseases and renal insufficiency ACTELION PHARMACEUTICALS LTD. (CH) 2011-03-29 US disclosed
US-7915259-B2 7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxylic acid cyclopropyl-(2,3-dimethylbenzyl)amide; retin inhibitor with other active ingredients; cardiovascular diseases and renal insufficiency ACTELION PHARMACEUTICALS LTD. (CH) 2011-03-29 US disclosed
US-7915259-B2 7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxylic acid cyclopropyl-(2,3-dimethylbenzyl)amide; retin inhibitor with other active ingredients; cardiovascular diseases and renal insufficiency ACTELION PHARMACEUTICALS LTD. (CH) 2011-03-29 US disclosed
US-20080161313-A1 Diazabicyclononene Derivatives and Use Thereof ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 US disclosed
US-20080161313-A1 Diazabicyclononene Derivatives and Use Thereof ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 US disclosed
US-20080161313-A1 Diazabicyclononene Derivatives and Use Thereof ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 US disclosed
EP-1846407-A1 7-{4-[2-(2,6-DICHLORO-4-METHYLPHENOXY)ETHOXY]PHENYL}-3,9-DIAZABICYCLO[3.3.31]NON-6-ENE-6-CARBOXYLIC ACID CYCLOPROPYL-(2,3-DIMETHYLBENZYL)AMIDE AS INHIBITORS OF RENIN FOR THE TREATMENT OF HYPERTENSION. Actelion Pharmaceuticals Ltd. (CH) 2007-10-24 EP disclosed
WO-2007034406-A1 PYRROLIDINE-3-CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF RENIN ACTELION PHARMACEUTICALS LTD (CH) 2007-03-29 WO disclosed
WO-2006079988-A1 7- {4- [2- (2 , 6-DICHL0R0-4-METHYLPHEN0XY) ETHOXY] PHENYL}-3 , 9-DIAZABICYCLO [3 .3 . 31] NON - 6-ENE- S- CARBOXYLIC ACID CYCLOPROPYL- (2 , 3-DIMETHYLBENZYD AMIDE AS INHIBITORS OF RENIN FOR THE TREATMENT OF HYPERTENSION ACTELION PHARMACEUTICALS LTD (CH) 2006-08-03 WO disclosed
WO-2006079988-A1 7- {4- [2- (2 , 6-DICHL0R0-4-METHYLPHEN0XY) ETHOXY] PHENYL}-3 , 9-DIAZABICYCLO [3 .3 . 31] NON - 6-ENE- S- CARBOXYLIC ACID CYCLOPROPYL- (2 , 3-DIMETHYLBENZYD AMIDE AS INHIBITORS OF RENIN FOR THE TREATMENT OF HYPERTENSION ACTELION PHARMACEUTICALS LTD (CH) 2006-08-03 WO disclosed
WO-2006021403-A1 BICYCLONONENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 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 (1 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-20080161313-A1 Diazabicyclononene Derivatives and Use Thereof REN, ACE, AGTR1 KDM4E 2878/4885ALDH1A1 221/4885APP 1485/4885

“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.