SCHEMBL4156281

SCHEMBL4156281

COc1cccc2c(C(C)CN3CCN(c4cc(Cl)cc5cccnc45)CC3)coc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.43
MAPT P10636 7/20 0.41
LMNA P02545 6/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TP53 P04637 3/20 0.41
MEN1 O00255 2/20 0.41
HIF1A Q16665 2/20 0.41
SLC6A4 P31645 2/20 0.41
ALDH1A1 P00352 2/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
NR1I2 O75469 1/20 0.41
NR3C1 P04150 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL4130975 0.91 HTR1A (0.46) HTR1AMAPTLMNAKMT2AMAPK1
SCHEMBL4146398 0.90 MAPT (0.47) HTR1AMAPTLMNAKMT2AMAPK1
SCHEMBL4138618 0.85 HTR1A (0.54) HTR1AMAPTLMNAKMT2AMAPK1
SCHEMBL4148966 0.83 HTR1A (0.57) HTR1AMAPTLMNAKMT2AMAPK1
SCHEMBL4137111 0.76 HTR1A (0.58) HTR1AMAPTLMNAKMT2ASLC6A4
SCHEMBL4139486 0.76 HTR1A (0.55) HTR1AMAPTLMNAKMT2AMAPK1
SCHEMBL4139978 0.76 HTR1A (0.68) HTR1AMAPTTP53SLC6A4ALDH1A1
SCHEMBL4140331 0.75 HTR1A (0.48) HTR1AMAPTTP53SLC6A4SMN1; SMN2
SCHEMBL4131029 0.75 HTR1A (0.52) HTR1AMAPTLMNAKMT2AMAPK1
SCHEMBL4140048 0.73 HTR1A (0.41) HTR1AMAPTLMNAKMT2AMAPK1

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 12/4885MAPT 643/4885LMNA 584/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C HTR1A 12/4885MAPT 643/4885LMNA 584/4885

“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.