SCHEMBL4138539

SCHEMBL4138539

OC1(c2cc3ccccc3o2)CCC2(CC1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 3/20 0.47
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A4 P31645 1/20 0.41
HSD17B10 Q99714 2/20 0.38
FLT3 P36888 1/20 0.38
MGLL Q99685 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.37
TYR P14679 1/20 0.37
DAO P14920 1/20 0.37
AKR1B1 P15121 1/20 0.37
CA12 O43570 2/20 0.36
MAOB P27338 2/20 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
SCHEMBL4014117 0.76 OPRL1 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3205899 0.73 OPRL1 (0.47) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8327212 0.72 HTR2B (0.59) KDM4EBCHEACHEMEN1KMT2A
SCHEMBL612712 0.71 OPRL1 (0.52) ALDH1A1HSD17B10CYP1A2GAAMEN1
SCHEMBL29732524 0.70 CHRM2 (0.46) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL22720966 0.70 CHRM2 (0.46) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL4143774 0.70 SIGMAR1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7081194 0.69 TXNRD1 (0.38) KDM4EALDH1A1HSD17B10TDP1HPGD
SCHEMBL18115398 0.68 CHRM2 (0.44) KDM4EALDH1A1CHRM2CHRM4CHRM5
SCHEMBL14403245 0.68 DRD2 (0.39) KDM4EALDH1A1SLC6A3SLC6A4GAA

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 9 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-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE VENKATESAN ARANAPAKAM MUDUMBAI 2009-02-26 US disclosed
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-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-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 KDM4E 2515/4885ALDH1A1 828/4885CHRM2 1911/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C KDM4E 2515/4885ALDH1A1 828/4885CHRM2 1911/4885

“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.