SCHEMBL4131750

SCHEMBL4131750

Fc1ccc2scc(C3(N4CCN(c5ccc(Cl)c6cccnc56)CC4)CCCCC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.44
MAPT P10636 10/20 0.39
KDM4E B2RXH2 4/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 3/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
THRB P10828 1/20 0.33
METAP2 P50579 1/20 0.33
MEN1 O00255 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TNNI3 P19429 1/20 0.32

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
SCHEMBL4130960 0.85 HTR1A (0.49) HTR1AMAPTLMNATP53THRB
SCHEMBL4131767 0.80 HTR1A (0.49) HTR1A
SCHEMBL4139413 0.79 HTR1A (0.46) HTR1AKMT2ANPSR1MEN1
SCHEMBL4140762 0.76 HTR1A (0.43) HTR1AMAPTLMNAKMT2ANPSR1
SCHEMBL4131745 0.76 HTR1A (0.54) HTR1A
SCHEMBL4140359 0.76 HTR1A (0.54) HTR1A
SCHEMBL4140399 0.72 MAPT (0.36) HTR1AMAPTKDM4ELMNATDP1
SCHEMBL4145621 0.71 HTR1A (0.48) HTR1AMAPTTP53
SCHEMBL4134151 0.71 HTR1A (0.37) HTR1AMAPTKDM4ELMNATDP1
SCHEMBL6636681 0.69 G6PD (0.37) HTR1AMAPTKDM4ELMNATDP1

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 7 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
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 US 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 643/4885KDM4E 2515/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C HTR1A 12/4885MAPT 643/4885KDM4E 2515/4885

“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.