SCHEMBL3540912

SCHEMBL3540912

COc1cccc(C2(O)CCc3ccc(Cl)cc32)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
KDM1A O60341 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KDM1B Q8NB78 1/20 0.38
PIN1 Q13526 3/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PDE1B Q01064 4/20 0.35
PDE2A O00408 1/20 0.35
PDE8B O95263 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
PDE1A P54750 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE1C Q14123 1/20 0.35

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
SCHEMBL1513248 0.75 SLC6A2 (0.42) SIGMAR1KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL6946652 0.73 SIGMAR1 (0.55) SIGMAR1KDM1AMAOAMAOBPIN1
SCHEMBL4590131 0.72 KMT2A (0.56) ACHEBRD4
SCHEMBL1513240 0.71 SLC6A2 (0.44) SIGMAR1KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL12165075 0.70 CTSD (0.37) SLC6A2SLC6A4SLC6A3PDE1B
SCHEMBL2782958 0.67 OPRM1 (0.50) SIGMAR1ALDH1A1
SCHEMBL4588940 0.67 CBX7 (0.45) MAOBACHE
SCHEMBL7171860 0.65 PDK2 (0.43) SIGMAR1CYP2C19CYP3A4
SCHEMBL6300172 0.64 SIGMAR1 (0.46) SIGMAR1KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL11633525 0.64 SIGMAR1 (0.41) SIGMAR1ALDH1A1BRD4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662956-B2 Tetrahydrobenzo[d]azepin-2-one derivatives and the use thereof for treating cardiovascular diseases BAYER SHERING PHARMA AG (DE) 2010-02-16 US disclosed
US-7662956-B2 Tetrahydrobenzo[d]azepin-2-one derivatives and the use thereof for treating cardiovascular diseases BAYER SHERING PHARMA AG (DE) 2010-02-16 US disclosed
US-7662956-B2 Tetrahydrobenzo[d]azepin-2-one derivatives and the use thereof for treating cardiovascular diseases BAYER SHERING PHARMA AG (DE) 2010-02-16 US disclosed
EP-1716118-B1 TETRAHYDROBENZO[D]AZEPIN-2- ONE DERIVATIVES AND THE USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2008-04-30 EP disclosed
EP-1716118-B1 TETRAHYDROBENZO[D]AZEPIN-2- ONE DERIVATIVES AND THE USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2008-04-30 EP disclosed
US-20070287698-A1 Tetrahydrobenzo(D)Azepin-2-One Derivatives and the Use Thereof for Treating Cardiovascular Diseases BAYER HEALTHCARE AG (DE) 2007-12-13 US disclosed
US-20070287698-A1 Tetrahydrobenzo(D)Azepin-2-One Derivatives and the Use Thereof for Treating Cardiovascular Diseases BAYER HEALTHCARE AG (DE) 2007-12-13 US disclosed
US-20070287698-A1 Tetrahydrobenzo(D)Azepin-2-One Derivatives and the Use Thereof for Treating Cardiovascular Diseases BAYER HEALTHCARE AG (DE) 2007-12-13 US disclosed
EP-1716118-A1 TETRAHYDROBENZO[D]AZEPIN-2- ONE DERIVATIVES AND THE USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2006-11-02 EP disclosed
WO-2005077907-A1 TETRAHYDROBENZO[D]AZEPIN-2- ONE DERIVATIVES AND THE USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2005-08-25 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-20070287698-A1 Tetrahydrobenzo(D)Azepin-2-One Derivatives and the Use Thereof for Treating Cardiovascular Diseases APOB, PCSK9, BDKRB1 SIGMAR1 4337/4885KDM1A 3031/4885MAOA 1756/4885

“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.