SCHEMBL5606083

SCHEMBL5606083

CN1CCCC1CCc1ccccc1/C=C1\SCCN(c2ccc(Cl)c(Cl)c2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
HTR1A P08908 2/20 0.36
SLC6A3 Q01959 2/20 0.36
HTR6 P50406 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
DYRK1A Q13627 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
CHRM3 P20309 4/20 0.34
DRD1 P21728 1/20 0.34
HRH2 P25021 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 1/20 0.34
EPHA2 P29317 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 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
SCHEMBL5606086 1.00 SLC6A2 (0.36) SLC6A2SLC6A4HTR1ASLC6A3HTR6
SCHEMBL5161568 0.84 CHRNB4 (0.43) CHRM3
SCHEMBL5161564 0.84 CHRNB4 (0.43) CHRM3
SCHEMBL5606060 0.83 SIGMAR1 (0.38) SLC6A2SLC6A4HTR1ASLC6A3HTR6
SCHEMBL5606061 0.83 SIGMAR1 (0.38) SLC6A2SLC6A4HTR1ASLC6A3HTR6
SCHEMBL5613737 0.80 SLC6A2 (0.39) SLC6A2SLC6A4HTR1ASLC6A3HTR6
SCHEMBL5613735 0.80 SLC6A2 (0.39) SLC6A2SLC6A4HTR1ASLC6A3HTR6
SCHEMBL27413801 0.80 HTR6 (0.37) SLC6A4HTR6HRH3DRD2CHRM3
SCHEMBL5613775 0.76 SLC6A2 (0.41) SLC6A2SLC6A4HTR1ASLC6A3HTR6
SCHEMBL5613776 0.76 SLC6A2 (0.41) SLC6A2SLC6A4HTR1ASLC6A3HTR6

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020049211-A1 Combination treatment for depression and anxiety SOBOLOV-JAYNES SUSAN BETH (US) 2002-04-25 US claimed
EP-1186318-A2 Combination, for treating depression and anxiety, containing a 5HT1d receptor antagonist and aCNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-03-13 EP claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO 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
US-20060052373-A1 Combination of dopamine agonists and aralkyl and aralkylidene heterocyclic lactams and imides PFIZER INC 2006-03-09 US disclosed
EP-1562908-A1 QUINOLINE DERIVATIVES Pfizer Products Inc. (US) 2005-08-17 EP disclosed
US-6921760-B2 Aralkyl and aralkylidene heterocyclic lactams and imides PFIZER INC. (US) 2005-07-26 US disclosed
WO-2005053701-A1 COMBINATION OF DOPAMINE AGONISTS AND ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER PRODUCTS INC. (US) 2005-06-16 WO disclosed
US-6894062-B1 Quinoline derivatives PFIZER INC. (US) 2005-05-17 US disclosed
WO-2004043929-A1 QUINOLINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-05-27 WO disclosed
US-6627627-B2 Useful as psychotherapeutic agents PFIZER INC. 2003-09-30 US disclosed
US-20020091117-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. 2002-07-11 US disclosed
WO-2002046167-A1 BENZYL (IDENE)-LACTAMS AND THEIR USE AS 5HT1-RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2002-06-13 WO disclosed
US-20020072519-A1 Aralkyl and aralkylidene heterocyclic lactams and imides PFIZER INC. 2002-06-13 US disclosed
US-6403592-B1 SEROTONIN REUPTAKE INHIBITORS PFIZER INC 2002-06-11 US disclosed
US-6380186-B1 PSYCHOTHERAPEUTIC AGENTS PFIZER INC 2002-04-30 US disclosed
US-20020049211-A1 Combination treatment for depression and anxiety SOBOLOV-JAYNES SUSAN BETH (US) 2002-04-25 US disclosed
EP-1186318-A2 Combination, for treating depression and anxiety, containing a 5HT1d receptor antagonist and aCNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-03-13 EP disclosed
EP-0929528-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. (US) 1999-07-21 EP disclosed
WO-1998014433-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. (US) 1998-04-09 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 (4 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-20060052373-A1 Combination of dopamine agonists and aralkyl and aralkylidene heterocyclic lactams and imides DRD2, OPRL1, SLC6A3 SLC6A2 20/4885SLC6A4 107/4885HTR1A 124/4885
US-20020049211-A1 Combination treatment for depression and anxiety HTR1A, HTR1D, HTR5A SLC6A2 39/4885SLC6A4 36/4885HTR1A 1/4885
US-20020072519-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 SLC6A2 4351/4885SLC6A4 4583/4885HTR1A 1064/4885
US-20020091117-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES MRPL21, ARAF, ARL1 SLC6A2 4351/4885SLC6A4 4583/4885HTR1A 1064/4885

“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.