SCHEMBL4140399

SCHEMBL4140399

COc1cccc2c(C3(N4CCN(c5ccc(Cl)c6cccnc56)CC4)CCCCC3)coc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.36
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 6/20 0.36
HTT P42858 6/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 4/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 7/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
MPI P34949 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL4134171 0.91 HTR1A (0.42) MAPTKDM4EALDH1A1HTTHSD17B10
SCHEMBL4145554 0.89 HTR7 (0.41) MAPTKDM4EALDH1A1HTTHPGD
SCHEMBL4134151 0.83 HTR1A (0.37) MAPTKDM4EALDH1A1HTTHPGD
SCHEMBL4138675 0.83 HTR1A (0.44) HTR1AHTR7HTR6HTR2A
SCHEMBL4156253 0.75 HTR1A (0.44) MAPTKDM4EALDH1A1HTTHPGD
SCHEMBL4140396 0.75 HTR1A (0.44) MAPTKDM4EALDH1A1HTTHPGD
SCHEMBL4143145 0.73 HTR1A (0.42) MAPTKDM4EALDH1A1KMT2ALMNA
SCHEMBL4131750 0.72 HTR1A (0.44) MAPTKDM4EALDH1A1HTTHSD17B10
SCHEMBL6636681 0.68 G6PD (0.37) MAPTKDM4EALDH1A1HTTHSD17B10
SCHEMBL4130963 0.67 HTR1A (0.48) HTR1A

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 5 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
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 US 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 643/4885KDM4E 2515/4885ALDH1A1 828/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C MAPT 643/4885KDM4E 2515/4885ALDH1A1 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.