SCHEMBL4131029

SCHEMBL4131029

CC(CN1CCN(c2cccc3cccnc23)CC1)c1coc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.52
SLC6A4 P31645 3/20 0.52
HTR2A P28223 6/20 0.44
HTR2C P28335 1/20 0.44
DRD2 P14416 5/20 0.42
HTR6 P50406 4/20 0.42
HTR7 P34969 3/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
ADRA1A P35348 4/20 0.40
HRH1 P35367 4/20 0.40
ADRA1B P35368 4/20 0.40
KCNH2 Q12809 4/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL4139978 0.88 HTR1A (0.68) HTR1ASLC6A4HTR2ADRD2HTR6
SCHEMBL4139486 0.88 HTR1A (0.55) HTR1ASLC6A4HTR2ADRD2HTR6
SCHEMBL4138618 0.88 HTR1A (0.54) HTR1ASLC6A4HTR2ADRD2HTR6
SCHEMBL4146398 0.85 MAPT (0.47) HTR1ASLC6A4HTR2ADRD2HTR6
SCHEMBL4130975 0.76 HTR1A (0.46) HTR1ASLC6A4HTR2ADRD2HTR6
SCHEMBL4156281 0.75 HTR1A (0.43) HTR1ASLC6A4HTR2ADRD2HTR6
SCHEMBL13437119 0.73 HTR1A (0.58) HTR1ASLC6A4HTR2AHTR2C
SCHEMBL4135492 0.69 HTR1A (0.61) HTR1ASLC6A4HTR2ADRD2NOS3
SCHEMBL4143639 0.69 HTR1A (0.77) HTR1ASLC6A4DRD2DRD3
SCHEMBL4139454 0.69 HTR1A (0.64) HTR1ASLC6A4HTR2AHTR2CDRD2

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 14/4885HTR2A 7/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C HTR1A 12/4885SLC6A4 14/4885HTR2A 7/4885

“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.