SCHEMBL4138618

SCHEMBL4138618

CC(CN1CCN(c2cc(Cl)cc3cccnc23)CC1)c1coc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.54
SLC6A4 P31645 2/20 0.54
ALDH1A1 P00352 2/20 0.37
DRD2 P14416 3/20 0.36
HTR6 P50406 1/20 0.35
MAPT P10636 5/20 0.35
HTR2A P28223 2/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 4/20 0.34
KDM4E B2RXH2 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SLC2A1 P11166 1/20 0.34
LMNA P02545 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
USP2 O75604 2/20 0.34
KMT2A Q03164 2/20 0.34
NR1I2 O75469 1/20 0.34
NR3C1 P04150 1/20 0.34
ADRB1 P08588 1/20 0.34

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
SCHEMBL4139486 0.90 HTR1A (0.55) HTR1ASLC6A4ALDH1A1DRD2HTR6
SCHEMBL4139978 0.90 HTR1A (0.68) HTR1ASLC6A4ALDH1A1DRD2HTR6
SCHEMBL4131029 0.88 HTR1A (0.52) HTR1ASLC6A4ALDH1A1DRD2HTR6
SCHEMBL4156281 0.85 HTR1A (0.43) HTR1ASLC6A4ALDH1A1DRD2HTR6
SCHEMBL4139895 0.81 HTR1A (0.81) HTR1ASLC6A4ALDH1A1DRD2HTR6
SCHEMBL4130975 0.76 HTR1A (0.46) HTR1ASLC6A4ALDH1A1DRD2HTR6
SCHEMBL3560564 0.76 HTR1A (0.52) HTR1ASLC6A4
SCHEMBL4144003 0.75 HTR1A (0.68) HTR1ASLC6A4ALDH1A1DRD2HTR6
SCHEMBL4146398 0.73 MAPT (0.47) HTR1ASLC6A4ALDH1A1DRD2HTR6
SCHEMBL4153116 0.73 HTR1A (0.68) HTR1ASLC6A4DRD2HTR2AADRA2A

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 14/4885ALDH1A1 828/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C HTR1A 12/4885SLC6A4 14/4885ALDH1A1 828/4885

“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.