SCHEMBL1737737

SCHEMBL1737737

CC1CN(c2ccc(F)cc2CC2CCCN(c3ccc(C(C)(C)O)cc3)C2=O)CC(C)N1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.36
CHRM4 P08173 2/20 0.35
PER2 O15055 4/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
FPR2 P25090 1/20 0.33
CHRNB2 P17787 1/20 0.33
HTR1B P28222 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA4 P43681 1/20 0.33
UGCG Q16739 1/20 0.33
HSD11B1 P28845 6/20 0.33
ROCK2 O75116 1/20 0.33
DPP4 P27487 1/20 0.32
CRY2 Q49AN0 1/20 0.32

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
SCHEMBL1737879 0.88 FPR2 (0.36) CHRM4FPR2UGCGROCK2
SCHEMBL1737739 0.87 CHRM4 (0.36) WDR5CHRM4FPR2HSD11B1DPP4
SCHEMBL1737779 0.84 SIGMAR1 (0.38) WDR5CHRM4OPRM1OPRL1KDM4E
SCHEMBL1737246 0.83 ALDH1A1 (0.40) WDR5OPRM1OPRL1KDM4EFPR2
SCHEMBL1737249 0.83 ALDH1A1 (0.40) WDR5OPRM1OPRL1KDM4EFPR2
SCHEMBL1737280 0.83 ALDH1A1 (0.40) WDR5OPRM1OPRL1KDM4EFPR2
SCHEMBL1738778 0.82 ROCK2 (0.40) CHRM4HTR1BUGCGROCK2
SCHEMBL5606335 0.82 ROCK2 (0.40) CHRM4HTR1BUGCGROCK2
SCHEMBL5605999 0.82 ROCK2 (0.40) CHRM4HTR1BUGCGROCK2
SCHEMBL5606004 0.82 ROCK2 (0.40) CHRM4HTR1BUGCGROCK2

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 14 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
EP-1727794-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES Pfizer Products Incorporated (US) 2006-12-06 EP claimed
US-20050245521-A1 Novel benayl(idene)-lactam derivatives PFIZER INC. 2005-11-03 US claimed
WO-2005090300-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-09-29 WO 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
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
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
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 (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-20050245521-A1 Novel benayl(idene)-lactam derivatives HTR1E, HTR1D, HTR1A WDR5 2559/4885CHRM4 485/4885PER2 2261/4885

“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.