SCHEMBL1740973

SCHEMBL1740973

O=C1NCCC1Cc1ccccc1N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.47
SLC6A2 P23975 6/20 0.47
SLC6A4 P31645 6/20 0.47
SLC6A3 Q01959 3/20 0.47
HTR2A P28223 3/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
HTR2C P28335 1/20 0.45
DRD3 P35462 1/20 0.45
ADRB1 P08588 2/20 0.43
BRD9 Q9H8M2 1/20 0.41
HTR7 P34969 2/20 0.40
HTR5A P47898 2/20 0.40
HTR6 P50406 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
NCF1 P14598 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4732267 0.87 NCF1 (0.46) HTR1AHTR2ADRD2DRD4HTR2C
SCHEMBL5611262 0.87 NCF1 (0.46) HTR1AHTR2ADRD2DRD4HTR2C
SCHEMBL1737562 0.87 NCF1 (0.46) HTR1AHTR2ADRD2DRD4HTR2C
SCHEMBL4474160 0.85 CHRNA7 (0.39) HTR1AHTR2ADRD2DRD4HTR2C
SCHEMBL4480301 0.83 NCF1 (0.54) HTR1AHTR2ADRD2DRD4HTR2C
SCHEMBL4475156 0.80 PTGER3 (0.33) HTR1DHTR1B
SCHEMBL4477924 0.80 NCF1 (0.47) HTR1AHTR2ADRD2DRD4HTR2C
SCHEMBL27686595 0.76
SCHEMBL31561598 0.74 HTR1A (0.73) HTR1ASLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL335802 0.74 HTR1A (0.73) HTR1ASLC6A2SLC6A4SLC6A3HTR2A

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 16 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 disclosed
US-20110263484-A1 SINGLE CHAIN FC TYPE III INTERFERONS AND METHODS OF USING SAME ZYMOGENETICS, INC. 2011-10-27 US disclosed
US-8012969-B2 Radiopharmaceutical for positron emission tomography; imaging brain tissue; labeled serotonin type 1B (5HT1B) receptor ligands GE HEALTHCARE LIMITED (GB) 2011-09-06 US disclosed
US-8012969-B2 Radiopharmaceutical for positron emission tomography; imaging brain tissue; labeled serotonin type 1B (5HT1B) receptor ligands GE HEALTHCARE LIMITED (GB) 2011-09-06 US disclosed
US-8012969-B2 Radiopharmaceutical for positron emission tomography; imaging brain tissue; labeled serotonin type 1B (5HT1B) receptor ligands GE HEALTHCARE LIMITED (GB) 2011-09-06 US disclosed
EP-1836164-B1 11C-LABELED BENZYL-LACTAM COMPOUNDS AND THEIR USE AS IMAGING AGENTS GE HEALTHCARE LTD (GB) 2011-08-24 EP disclosed
EP-1836164-B1 11C-LABELED BENZYL-LACTAM COMPOUNDS AND THEIR USE AS IMAGING AGENTS GE HEALTHCARE LTD (GB) 2011-08-24 EP 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
US-20080206137-A1 11C-Labeled Benzyl-Lactam Compounds and Their Use as Imaging Agents GE HEALTHCARE LIMITED (GB) 2008-08-28 US disclosed
US-20080206137-A1 11C-Labeled Benzyl-Lactam Compounds and Their Use as Imaging Agents GE HEALTHCARE LIMITED (GB) 2008-08-28 US disclosed
US-20080206137-A1 11C-Labeled Benzyl-Lactam Compounds and Their Use as Imaging Agents GE HEALTHCARE LIMITED (GB) 2008-08-28 US disclosed
EP-1836164-A1 11C-LABELED BENZYL-LACTAM COMPOUNDS AND THEIR USE AS IMAGING AGENTS Pfizer Products Inc. (US) 2007-09-26 EP disclosed
EP-1727794-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES Pfizer Products Incorporated (US) 2006-12-06 EP disclosed
WO-2006075226-A1 11C-LABELED BENZYL-LACTAM COMPOUNDS AND THEIR USE AS IMAGING AGENTS PFIZER PRODUCTS INC. (US) 2006-07-20 WO 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 (2 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
US-20080206137-A1 11C-Labeled Benzyl-Lactam Compounds and Their Use as Imaging Agents TMEM14C, QPCT, PAICS HTR1A 2353/4885SLC6A2 2057/4885SLC6A4 2437/4885

“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.