SCHEMBL4134514

SCHEMBL4134514

COc1cccc2c(CC(C)N3CCN(c4cccc5cccnc45)CC3)coc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
LMNA P02545 7/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 3/20 0.43
RAB9A P51151 2/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.43
MPI P34949 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 4/20 0.42
HTR1A P08908 5/20 0.41
MAPK1 P28482 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HTR2A P28223 3/20 0.41
MEN1 O00255 2/20 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
SCHEMBL4140331 0.90 HTR1A (0.48) MAPTSMN1; SMN2POLBTP53HTR1A
SCHEMBL4140048 0.90 HTR1A (0.41) MAPTLMNAKMT2ASMN1; SMN2HTT
SCHEMBL4153110 0.84 HTR1A (0.55) MAPTLMNAKMT2ASMN1; SMN2HTT
SCHEMBL4130966 0.83 HTR1A (0.45) POLBHTR1AHTR2ASLC6A4ADRA1A
SCHEMBL4146398 0.81 MAPT (0.47) MAPTLMNAKMT2ASMN1; SMN2HTT
SCHEMBL4137111 0.75 HTR1A (0.58) MAPTLMNAKMT2ASMN1; SMN2HTT
SCHEMBL4145554 0.75 HTR7 (0.41) MAPTLMNAKMT2ASMN1; SMN2HTT
SCHEMBL4149550 0.75 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1B
SCHEMBL4145549 0.75 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1B
SCHEMBL4148966 0.74 HTR1A (0.57) MAPTLMNAKMT2ASMN1; SMN2HTT

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 MAPT 643/4885LMNA 584/4885KMT2A 1907/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C MAPT 643/4885LMNA 584/4885KMT2A 1907/4885

“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.