SCHEMBL1738324

SCHEMBL1738324

CC(C)(O)c1ccc(N2CCC(Cc3ccccc3N3CCNCC3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.46
SLC6A2 P23975 5/20 0.46
SLC6A4 P31645 5/20 0.46
SLC6A3 Q01959 3/20 0.46
ROCK2 O75116 6/20 0.43
OPRD1 P41143 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
DRD3 P35462 1/20 0.40
HTR3A P46098 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL1738622 0.90 HTR1A (0.45) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL1737760 0.89 ROCK2 (0.41) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL1737717 0.89 ROCK2 (0.41) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL1737713 0.89 ROCK2 (0.41) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL6694402 0.89 HTR1A (0.48) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL2339097 0.88 HTR1A (0.45) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL2335962 0.88 HTR1A (0.45) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL2337750 0.88 HTR1A (0.45) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL5606615 0.87 ROCK2 (0.40) HTR1ASLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL5606032 0.87 ROCK2 (0.40) HTR1ASLC6A2SLC6A4SLC6A3ROCK2

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 15 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
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
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 HTR1A 3/4885SLC6A2 355/4885SLC6A4 147/4885

“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.