SCHEMBL4140106

SCHEMBL4140106

CC(C)C1CNCCN1c1cccc2cccnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.56
HTR2A P28223 5/20 0.56
SLC6A4 P31645 1/20 0.56
HTR2B P41595 5/20 0.40
TDP1 Q9NUW8 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
HTR1A P08908 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4144034 0.83 HTR2C (0.59) HTR2CHTR2ASLC6A4HTR2BMAPT
SCHEMBL4134028 0.81 HTR2C (0.57) HTR2CHTR2ASLC6A4HTR2BHTR1A
SCHEMBL4146589 0.81 HTR2C (0.59) HTR2CHTR2ASLC6A4HTR2BTDP1
SCHEMBL4135513 0.81 HTR2C (0.59) HTR2CHTR2ASLC6A4HTR2BTDP1
SCHEMBL1045944 0.72 HTR2A (1.00) HTR2CHTR2ASLC6A4HTR1AMAPT
Methyl Alcohol SCHEMBL27731985 0.72 HTR2A (0.91) HTR2CHTR2ASLC6A4HTR1AMAPT
Hydrochloric Acid SCHEMBL1048620 0.71 HTR2A (0.97) HTR2CHTR2ASLC6A4HTR1AMAPT
SCHEMBL38664196 0.70 ADRB2 (0.46) HTR2CHTR2ASLC6A4HTR2BTDP1
SCHEMBL28239838 0.69 SLC6A2 (0.53) HTR2CHTR2ASLC6A4HTR2BTDP1
SCHEMBL15542777 0.68 HTR3A (0.45) TDP1TLR9TLR8TLR7MAPT

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-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 HTR2C 3/4885HTR2A 7/4885SLC6A4 14/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C HTR2C 3/4885HTR2A 7/4885SLC6A4 14/4885

“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.