SCHEMBL1737277

SCHEMBL1737277

CC1CN(c2ccccc2CC2CCCN(c3ccc(C(C)(C)O)nc3)C2=O)CC(C)N1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 9/20 0.39
SIGMAR1 Q99720 1/20 0.35
HCRTR1 O43613 1/20 0.35
ROCK2 O75116 2/20 0.35
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 2/20 0.34
SYK P43405 1/20 0.34
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSD11B1 P28845 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL4475863 0.95 CHRM4 (0.40) CHRM4SIGMAR1HCRTR1ROCK2CHRM2
SCHEMBL1738727 0.95 CHRM4 (0.40) CHRM4SIGMAR1HCRTR1ROCK2CHRM2
SCHEMBL1737806 0.95 CHRM4 (0.40) CHRM4SIGMAR1HCRTR1ROCK2CHRM2
SCHEMBL1737808 0.95 CHRM4 (0.40) CHRM4SIGMAR1HCRTR1ROCK2CHRM2
SCHEMBL4486373 0.95 CHRM4 (0.40) CHRM4SIGMAR1HCRTR1ROCK2CHRM2
SCHEMBL4486374 0.95 CHRM4 (0.40) CHRM4SIGMAR1HCRTR1ROCK2CHRM2
SCHEMBL1738674 0.95 CHRM4 (0.40) CHRM4SIGMAR1HCRTR1ROCK2CHRM2
SCHEMBL4475866 0.95 CHRM4 (0.40) CHRM4SIGMAR1HCRTR1ROCK2CHRM2
SCHEMBL1738975 0.90 WEE1 (0.37) CHRM4SIGMAR1ROCK2PARP1PARP2
SCHEMBL1738510 0.90 WEE1 (0.37) CHRM4SIGMAR1ROCK2PARP1PARP2

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 10 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
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
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 CHRM4 485/4885SIGMAR1 95/4885HCRTR1 173/4885

“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.