SCHEMBL1737783

SCHEMBL1737783

COC(C)(C)c1ccc(N2CCC(Cc3ccccc3N3CCN(C)CC3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.42
DRD2 P14416 4/20 0.38
DRD3 P35462 3/20 0.38
NCF1 P14598 1/20 0.37
HTR2C P28335 4/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD4 P21917 2/20 0.36
HRH2 P25021 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTR2A P28223 2/20 0.35
FPR2 P25090 1/20 0.35
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
HTR1A P08908 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
SCHEMBL12295007 1.00 ROCK2 (0.42) ROCK2DRD2DRD3NCF1HTR2C
SCHEMBL12295002 1.00 ROCK2 (0.42) ROCK2DRD2DRD3NCF1HTR2C
SCHEMBL12295006 1.00 ROCK2 (0.42) ROCK2DRD2DRD3NCF1HTR2C
SCHEMBL5592450 1.00 ROCK2 (0.42) ROCK2DRD2DRD3NCF1HTR2C
SCHEMBL5606643 1.00 ROCK2 (0.42) ROCK2DRD2DRD3NCF1HTR2C
SCHEMBL12328065 0.90 ROCK2 (0.40) ROCK2DRD2HTR2CUSP2ALDH1A1
SCHEMBL12328069 0.90 ROCK2 (0.40) ROCK2DRD2HTR2CUSP2ALDH1A1
SCHEMBL12328068 0.90 ROCK2 (0.40) ROCK2DRD2HTR2CUSP2ALDH1A1
SCHEMBL2337750 0.89 HTR1A (0.45) ROCK2DRD2DRD3LMNAHTR1A
SCHEMBL2335962 0.89 HTR1A (0.45) ROCK2DRD2DRD3LMNAHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727794-B1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PROD INC (US) 2011-11-16 EP claimed
US-20110263484-A1 SINGLE CHAIN FC TYPE III INTERFERONS AND METHODS OF USING SAME ZYMOGENETICS, INC. 2011-10-27 US claimed
US-7479559-B2 3-[-2-(Piperazin-1-yl)benzyl]pyrrolidin-2-one derivatives; antidepressants, anxiolytic agents; obsessive compulsive disorder, psychological disorders, phobias; 5-HT1 agonist or antagonists; side effect reduction, in particular cardiac QTc prolongation; hydrogenation PFIZER INC. (US) 2009-01-20 US claimed
WO-2007026219-A2 COMBINATIONS OF A 5-HT1B ANTAGONIST WITH A NORADRENALIN RE-UPTAKE INHIBITOR OR A SEROTONIN NORADRENALIN REUTAKE INHIBITOR FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-03-08 WO claimed
WO-2007026224-A2 5-HT1B ANTAGONIST COMPOSITION FOR DEPRESSION, ANXIETY AND COGNITION PFIZER PRODUCTS INC. (US) 2007-03-08 WO claimed
WO-2007012964-A1 PREPARATION OF ALKYLPIPERAZINYLPHENYL COMPOUNDS BY CLASSICAL RESOLUTION PFIZER PRODUCTS INC. (US) 2007-02-01 WO claimed
US-20050245521-A1 Novel benayl(idene)-lactam derivatives PFIZER INC. 2005-11-03 US claimed
EP-1727794-B1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PROD INC (US) 2011-11-16 EP disclosed
US-20110263484-A1 SINGLE CHAIN FC TYPE III INTERFERONS AND METHODS OF USING SAME ZYMOGENETICS, INC. 2011-10-27 US disclosed
EP-1836164-B1 11C-LABELED BENZYL-LACTAM COMPOUNDS AND THEIR USE AS IMAGING AGENTS GE HEALTHCARE LTD (GB) 2011-08-24 EP disclosed
US-7479559-B2 3-[-2-(Piperazin-1-yl)benzyl]pyrrolidin-2-one derivatives; antidepressants, anxiolytic agents; obsessive compulsive disorder, psychological disorders, phobias; 5-HT1 agonist or antagonists; side effect reduction, in particular cardiac QTc prolongation; hydrogenation PFIZER INC. (US) 2009-01-20 US disclosed
US-20080206137-A1 11C-Labeled Benzyl-Lactam Compounds and Their Use as Imaging Agents GE HEALTHCARE LIMITED (GB) 2008-08-28 US disclosed
WO-2007026219-A2 COMBINATIONS OF A 5-HT1B ANTAGONIST WITH A NORADRENALIN RE-UPTAKE INHIBITOR OR A SEROTONIN NORADRENALIN REUTAKE INHIBITOR FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-03-08 WO disclosed
WO-2007026224-A2 5-HT1B ANTAGONIST COMPOSITION FOR DEPRESSION, ANXIETY AND COGNITION PFIZER PRODUCTS INC. (US) 2007-03-08 WO disclosed
WO-2007012964-A1 PREPARATION OF ALKYLPIPERAZINYLPHENYL COMPOUNDS BY CLASSICAL RESOLUTION PFIZER PRODUCTS INC. (US) 2007-02-01 WO disclosed
EP-1727794-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES Pfizer Products Incorporated (US) 2006-12-06 EP disclosed
US-20050245521-A1 Novel benayl(idene)-lactam derivatives PFIZER INC. 2005-11-03 US disclosed
WO-2005090300-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-09-29 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 (2 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-20050245521-A1 Novel benayl(idene)-lactam derivatives HTR1E, HTR1D, HTR1A ROCK2 4391/4885DRD2 69/4885DRD3 78/4885
US-20080206137-A1 11C-Labeled Benzyl-Lactam Compounds and Their Use as Imaging Agents TMEM14C, QPCT, PAICS ROCK2 2938/4885DRD2 1102/4885DRD3 633/4885

“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.