SCHEMBL4134151

SCHEMBL4134151

COc1ccc2occ(C3(N4CCN(c5ccc(Cl)c6cccnc56)CC4)CCCCC3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.37
ALDH1A1 P00352 6/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HTT P42858 3/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAOB P27338 1/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MITF O75030 1/20 0.34
MAPT P10636 4/20 0.33

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
SCHEMBL4130963 0.84 HTR1A (0.48) HTR1AMAOBSLC6A4
SCHEMBL4140399 0.83 MAPT (0.36) HTR1AALDH1A1LMNAKMT2AHPGD
SCHEMBL4143145 0.77 HTR1A (0.42) HTR1AALDH1A1LMNAKMT2AKDM4E
SCHEMBL4145064 0.75 HTR1A (0.48) HTR1A
SCHEMBL4134147 0.75 HTR1A (0.48) HTR1A
SCHEMBL4134171 0.74 HTR1A (0.42) HTR1AALDH1A1LMNAKMT2AKDM4E
SCHEMBL4145554 0.72 HTR7 (0.41) HTR1AALDH1A1LMNAKMT2AHPGD
SCHEMBL4137026 0.71 HTR1A (0.59) HTR1AALDH1A1GRIN1GRIN2AGRIN2B
SCHEMBL4131750 0.71 HTR1A (0.44) HTR1AALDH1A1LMNAKMT2AKDM4E
SCHEMBL4138675 0.69 HTR1A (0.44) HTR1ASLC6A4

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 12/4885ALDH1A1 828/4885LMNA 584/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C HTR1A 12/4885ALDH1A1 828/4885LMNA 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.