SCHEMBL1106455

SCHEMBL1106455

CN1CCN(C2CCN(C(C)(C)C)CC2)C(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.33
AOC3 Q16853 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
ATR Q13535 1/20 0.32
ACHE P22303 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL116902 0.86
SCHEMBL8341378 0.84 PARP2 (0.42) PDE7AAOC3PARP2ATRACHE
SCHEMBL25045333 0.84 PDE7A (0.40) PDE7AAOC3PARP2ATRACHE
SCHEMBL12697804 0.80 PDE7A (0.43) PDE7A
SCHEMBL20465785 0.79 MAPK1 (0.33)
SCHEMBL14490260 0.77 PKM (0.39) PDE7AAOC3PARP2ATRACHE
SCHEMBL1161225 0.77 PARP2 (0.43) PDE7AAOC3PARP2ACHECHRM2
SCHEMBL22456339 0.77 PARP2 (0.43) PDE7AAOC3PARP2ATR
SCHEMBL852748 0.76 MAPK1 (0.40) PDE7AAOC3PARP2ATRACHE
SCHEMBL2855878 0.76 TP53 (0.40) PDE7AAOC3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-10-24 US disclosed
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-05-25 US disclosed
US-9604984-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2017-03-28 US disclosed
US-9604984-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2017-03-28 US disclosed
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-18 US disclosed
US-9346815-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2016-05-24 US disclosed
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-11-26 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US 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 (7 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-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 PDE7A 4069/4885AOC3 4715/4885PARP2 2854/4885
US-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 PDE7A 591/4885AOC3 2410/4885PARP2 743/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PDE7A 1191/4885AOC3 634/4885PARP2 2150/4885
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 PDE7A 591/4885AOC3 2410/4885PARP2 743/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PDE7A 1191/4885AOC3 634/4885PARP2 2150/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 PDE7A 591/4885AOC3 2410/4885PARP2 743/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 PDE7A 591/4885AOC3 2410/4885PARP2 743/4885

“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.