SCHEMBL4139440

SCHEMBL4139440

Fc1ccc2occ(CCN3CCN(c4cccc5cccnc45)CC3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.72
SLC6A4 P31645 2/20 0.72
DRD2 P14416 3/20 0.47
HTR2A P28223 3/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
KCNH2 Q12809 4/20 0.46
ADRA1A P35348 3/20 0.46
HRH1 P35367 3/20 0.46
ADRA1B P35368 3/20 0.46
HRH3 Q9Y5N1 3/20 0.46
HTR7 P34969 5/20 0.44
HTR6 P50406 3/20 0.43

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
SCHEMBL4143016 0.92 HTR1A (0.84) HTR1ASLC6A4DRD2HTR2ANOS3
SCHEMBL4139454 0.89 HTR1A (0.64) HTR1ASLC6A4DRD2HTR2ANOS3
SCHEMBL4143071 0.87 HTR1A (0.69) HTR1ASLC6A4
SCHEMBL4135492 0.86 HTR1A (0.61) HTR1ASLC6A4DRD2HTR2ANOS3
SCHEMBL4143201 0.83 HTR1A (1.00) HTR1ASLC6A4DRD2HTR2ANOS3
SCHEMBL4138739 0.83 HTR1A (0.64) HTR1ASLC6A4DRD2HTR2ANOS3
SCHEMBL6607956 0.82 HTR1A (0.53) HTR1ASLC6A4DRD2
SCHEMBL4134181 0.82 HTR1A (0.76) HTR1ASLC6A4DRD2KCNH2ADRA1A
SCHEMBL4134004 0.80 HTR1A (0.61) HTR1ASLC6A4DRD2HTR2ANOS3
SCHEMBL4144003 0.80 HTR1A (0.68) HTR1ASLC6A4DRD2HTR2ANOS3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276603-B2 serotonin receptor antagonists such as 8-{4-[2-(1-benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline, used for treatment and/or prevention of depression, anxiety and cognitive deficits arising from Alzheimer's disease, neurodegenerative disorders, schizophrenia and prostate cancer WYETH (US) 2007-10-02 US claimed
EP-1641785-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIBITORS Wyeth (US) 2006-04-05 EP claimed
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 US claimed
WO-2004099191-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH (US) 2004-11-18 WO claimed
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE VENKATESAN ARANAPAKAM MUDUMBAI 2009-02-26 US disclosed
US-7276603-B2 serotonin receptor antagonists such as 8-{4-[2-(1-benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline, used for treatment and/or prevention of depression, anxiety and cognitive deficits arising from Alzheimer's disease, neurodegenerative disorders, schizophrenia and prostate cancer WYETH (US) 2007-10-02 US disclosed
EP-1641785-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIBITORS Wyeth (US) 2006-04-05 EP disclosed
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 US disclosed
WO-2004099191-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH (US) 2004-11-18 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-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE TPH1, TPH2, HTR2C HTR1A 12/4885SLC6A4 14/4885DRD2 119/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C HTR1A 12/4885SLC6A4 14/4885DRD2 119/4885

“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.