SCHEMBL2067366

SCHEMBL2067366

CN(C)CCCOc1ccc(B(O)OC(C)(C)C(C)(C)O)cn1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.40
ATM Q13315 10/20 0.38
FYN P06241 3/20 0.38
TDO2 P48775 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
SCHEMBL9997367 0.82 MAPT (0.41)
SCHEMBL7877680 0.80 CHEK2 (0.44) CHEK2ATMFYN
SCHEMBL1502522 0.79 NNMT (0.37)
SCHEMBL12538799 0.79 L3MBTL1 (0.45)
SCHEMBL2067694 0.78 LIPE (0.37)
SCHEMBL15051440 0.76 ACACB (0.37)
SCHEMBL16734834 0.75 TRPV1 (0.33)
SCHEMBL290041 0.73
SCHEMBL532324 0.73 KMT2A (0.36) ATM
SCHEMBL15059078 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280699-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-29 US disclosed
EP-3049403-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2016-08-03 EP disclosed
WO-2015044172-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 WO disclosed
EP-2438063-A1 1H-IMIDAZO[4,5-C]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-04-11 EP disclosed
WO-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 WO disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 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 (3 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-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS PRKCA, ABL1, MYLK2 CHEK2 640/4885ATM 1084/4885FYN 634/4885
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 CHEK2 3711/4885ATM 700/4885FYN 3961/4885
US-20160280699-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT CHEK2 2822/4885ATM 1339/4885FYN 943/4885

“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.