SCHEMBL1737848

SCHEMBL1737848

CN1CCN(c2ccccc2CC2CCN(c3ccc(C(=O)N4CCCCC4)cc3)C2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 5/20 0.44
ALDH1A1 P00352 6/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1739591 1.00 MAPT (0.46) MAPTKDM4EHPGDALDH1A1GAA
SCHEMBL1737845 1.00 MAPT (0.46) MAPTKDM4EHPGDALDH1A1GAA
SCHEMBL1738643 0.95 KDM4E (0.48) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL1737795 0.91 HPGD (0.46) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL6434969 0.84 ROCK2 (0.44) MAPTKMT2ALMNASMN1; SMN2HRH3
SCHEMBL1738856 0.83 TRPV4 (0.45) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL1738789 0.83 TRPV4 (0.45) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL1738372 0.83 TRPV4 (0.45) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL22410991 0.82 ROCK2 (0.41) MAPTKMT2ALMNAHTTTSHR
SCHEMBL1737745 0.81 ROCK2 (0.39) MAPTKMT2AMEN1LMNA

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
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
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
CN-1934081-A Novel benayl(idene)-lactam derivatives PFIZER (US) 2007-03-21 CN 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 MAPT 3813/4885KDM4E 1710/4885HPGD 3306/4885

“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.