SCHEMBL861784

SCHEMBL861784

N[C@H]1CC[C@@H](N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.61
MBTD1 Q05BQ5 1/20 0.61
L3MBTL3 Q96JM7 1/20 0.61
ALDH1A1 P00352 3/20 0.57
DRD2 P14416 2/20 0.56
DRD3 P35462 2/20 0.56
MAPT P10636 3/20 0.55
GAA P10253 1/20 0.55
SLC18A3 Q16572 1/20 0.50
KDM4E B2RXH2 3/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
THRB P10828 1/20 0.48
DRD4 P21917 1/20 0.48

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
SCHEMBL372411 1.00 GRIN2B (0.65) GRIN2BL3MBTL1MBTD1L3MBTL3ALDH1A1
SCHEMBL372412 1.00 GRIN2B (0.65) GRIN2BL3MBTL1MBTD1L3MBTL3ALDH1A1
SCHEMBL14161697 0.91 GRIN2B (0.76) GRIN2BL3MBTL1MBTD1L3MBTL3ALDH1A1
SCHEMBL12662876 0.84 L3MBTL3 (0.73) GRIN2BL3MBTL1MBTD1L3MBTL3ALDH1A1
SCHEMBL13648726 0.83 L3MBTL3 (0.72) GRIN2BL3MBTL1MBTD1L3MBTL3ALDH1A1
SCHEMBL13648728 0.83 L3MBTL3 (0.72) GRIN2BL3MBTL1MBTD1L3MBTL3ALDH1A1
SCHEMBL22570271 0.83 ALDH1A1 (0.53) GRIN2BL3MBTL1L3MBTL3ALDH1A1DRD2
SCHEMBL20760190 0.82 GRIN2B (0.65) GRIN2BL3MBTL1MBTD1L3MBTL3ALDH1A1
SCHEMBL737747 0.82 GRIN2B (0.65) GRIN2BL3MBTL1MBTD1L3MBTL3ALDH1A1
SCHEMBL13240777 0.82 GRIN2B (0.65) GRIN2BL3MBTL1MBTD1L3MBTL3ALDH1A1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778240-B1 DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES ONCOHEROES BIOSCIENCES INC (US) 2020-03-25 EP disclosed
EP-2275107-B1 Combinations for the treatment of diseases involving cell proliferation BOEHRINGER INGELHEIM INT (DE) 2016-10-05 EP disclosed
US-20130245013-A1 STORAGE STABLE PERFUSION SOLUTION FOR DIHYDROPTERIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-20130245013-A1 STORAGE STABLE PERFUSION SOLUTION FOR DIHYDROPTERIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-8445675-B2 Storage stable perfusion solution for dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-21 US disclosed
US-8445675-B2 Storage stable perfusion solution for dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-21 US disclosed
US-8232286-B2 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
US-8232286-B2 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
US-20120107312-A1 Combinations for the Treatment of Diseases involving Cell Proliferation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120107312-A1 Combinations for the Treatment of Diseases involving Cell Proliferation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-7750152-B2 Intermediate compounds for making dihydropteridinones useful as pharmaceutical compositions and processes of making the same BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-07-06 US disclosed
US-20090238828-A1 Combinations for the Treatment of Diseases involving Cell Proliferation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-24 US disclosed
US-20090238828-A1 Combinations for the Treatment of Diseases involving Cell Proliferation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-24 US disclosed
US-20090156554-A1 P13-KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-20090143379-A1 Storage stable perfusion solution for dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-20090143379-A1 Storage stable perfusion solution for dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-20080221099-A1 DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES ONCOHEROES BIOSCIENCES INC. 2008-09-11 US disclosed
US-20080221099-A1 DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES ONCOHEROES BIOSCIENCES INC. 2008-09-11 US disclosed
US-20080171747-A1 Intermediate Compounds for making Dihydropteridinones Useful as Pharmaceutical Compositions ONCOHEROES BIOSCIENCES INC. 2008-07-17 US disclosed
US-20080171747-A1 Intermediate Compounds for making Dihydropteridinones Useful as Pharmaceutical Compositions ONCOHEROES BIOSCIENCES INC. 2008-07-17 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-20080221099-A1 DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES PLK4, TK1, POLK GRIN2B 3545/4885L3MBTL1 3208/4885MBTD1 2866/4885
US-20090156554-A1 P13-KINASES PIK3C3, PDPK1, MAP3K13 GRIN2B 2365/4885L3MBTL1 4122/4885MBTD1 3937/4885
US-20120107312-A1 Combinations for the Treatment of Diseases involving Cell Proliferation CCNA1, MKI67, CCNA2 GRIN2B 2633/4885L3MBTL1 1157/4885MBTD1 3691/4885
US-20090238828-A1 Combinations for the Treatment of Diseases involving Cell Proliferation CCNA1, MKI67, CCNA2 GRIN2B 2633/4885L3MBTL1 1157/4885MBTD1 3691/4885
US-20090143379-A1 Storage stable perfusion solution for dihydropteridinones QDPR, F5, F12 GRIN2B 3925/4885L3MBTL1 3936/4885MBTD1 4005/4885
US-20080171747-A1 Intermediate Compounds for making Dihydropteridinones Useful as Pharmaceutical Compositions QDPR, DHPS, DHODH GRIN2B 3469/4885L3MBTL1 3166/4885MBTD1 2272/4885
US-20130245013-A1 STORAGE STABLE PERFUSION SOLUTION FOR DIHYDROPTERIDINONES QDPR, F5, F12 GRIN2B 3925/4885L3MBTL1 3936/4885MBTD1 4005/4885

“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.