SCHEMBL1737779

SCHEMBL1737779

CC1CN(c2ccc(F)cc2CC2CCCN(c3ccc(C4(O)CCCC4)cc3)C2=O)CC(C)N1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.38
WDR5 P61964 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
FPR2 P25090 5/20 0.32
ROCK2 O75116 1/20 0.32
FPR1 P21462 1/20 0.32
CHRM4 P08173 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL1738748 0.89 SIGMAR1 (0.35) SIGMAR1LMNAFPR2ROCK2FPR1
SCHEMBL1737720 0.88 ALDH1A1 (0.38) SIGMAR1LMNAKDM4EOPRM1OPRK1
SCHEMBL1738325 0.85 ALDH1A1 (0.38) SIGMAR1LMNAOPRM1OPRK1OPRL1
SCHEMBL1737174 0.85 ALDH1A1 (0.38) SIGMAR1LMNAOPRM1OPRK1OPRL1
SCHEMBL1737643 0.85 ALDH1A1 (0.38) SIGMAR1LMNAOPRM1OPRK1OPRL1
SCHEMBL1737737 0.84 WDR5 (0.36) WDR5KDM4EHTTOPRM1OPRL1
SCHEMBL5606432 0.84 ROCK2 (0.38) SIGMAR1ROCK2
SCHEMBL5610451 0.84 ROCK2 (0.38) SIGMAR1ROCK2
SCHEMBL5606426 0.84 ROCK2 (0.38) SIGMAR1ROCK2
SCHEMBL1738782 0.84 ROCK2 (0.38) SIGMAR1ROCK2

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 SIGMAR1 95/4885WDR5 2559/4885LMNA 1173/4885

“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.