SCHEMBL4134133

SCHEMBL4134133

CC(C)(C)OC(=O)c1ccc(Cl)c2ccc(N3CCNCC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX7 Q99572 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
ADRB2 P07550 1/20 0.39
PARP1 P09874 2/20 0.39
MAP4K4 O95819 1/20 0.38
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BPTF Q12830 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
IRAK4 Q9NWZ3 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
SCHEMBL4143686 0.77 HRH4 (0.42) KDM4EMEN1KMT2AACACBACACA
SCHEMBL4144013 0.75 KDM4E (0.41) KDM4EMEN1KMT2AACACBACACA
SCHEMBL8801593 0.73 KDM4E (0.41) KDM4EMEN1KMT2AACACBACACA
SCHEMBL21612868 0.72 PRKCQ (0.51) KDM4EMEN1KMT2AACACBACACA
SCHEMBL24629084 0.70 BPTF (0.47) KDM4EMEN1KMT2AACACBACACA
SCHEMBL28780531 0.70 ADRB1 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20423547 0.69 CRBN (0.57) MEN1KMT2AALDH1A1
SCHEMBL8219392 0.68 ADRB1 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30777649 0.68 ADRB1 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12685440 0.68 PRKCA (0.54) KDM4EMEN1KMT2AACACBACACA

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 KDM4E 2515/4885MEN1 3795/4885KMT2A 1907/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C KDM4E 2515/4885MEN1 3795/4885KMT2A 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.