Sugi Predict

Sugi Predict / Compounds / SCHEMBL4143686

SCHEMBL4143686

SCHEMBL4143686

CC(C)(C)OC(=O)c1cc(F)cc2ccc(N3CCNCC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ ACACB O00763 1/20 0.39
▸ ACACA Q13085 1/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ 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
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL4144013 0.87 KDM4E (0.41) HRH4KDM4EMEN1KMT2AACACB
SCHEMBL4146770 0.79 KDM4E (0.45) KDM4EHDAC3HDAC2HTR6PARP1
SCHEMBL4134133 0.77 KDM4E (0.40) HRH4KDM4EMEN1KMT2AACACB
SCHEMBL28070062 0.72 FPR2 (0.36) HSD17B10PARP1
SCHEMBL21612868 0.72 PRKCQ (0.51) HRH4KDM4EMEN1KMT2AHRH3
SCHEMBL31584090 0.72 ACVR1 (0.45) CYP3A4HSD17B10HTR3EHTR3BHTR3A
SCHEMBL24629084 0.71 BPTF (0.47) HRH4KDM4EMEN1KMT2AACACB
SCHEMBL20423547 0.70 CRBN (0.57) MEN1KMT2AHDAC3HDAC2ALDH1A1
SCHEMBL8801593 0.70 KDM4E (0.41) HRH4KDM4EMEN1KMT2AHRH3
SCHEMBL30777649 0.69 ADRB1 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C

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 HRH4 395/4885KDM4E 2515/4885MEN1 3795/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C HRH4 395/4885KDM4E 2515/4885MEN1 3795/4885

“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.