SCHEMBL5836731

SCHEMBL5836731

O=C(O)c1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.52
SLC6A4 P31645 6/20 0.52
KCNH2 Q12809 6/20 0.52
KMO O15229 2/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
PTGER4 P35408 2/20 0.46
SCN9A Q15858 1/20 0.46
PTGER2 P43116 1/20 0.46
PYGL P06737 1/20 0.46
PYGM P11217 1/20 0.46
EPAS1 Q99814 2/20 0.45
IGFBP3 P17936 1/20 0.43
KEAP1 Q14145 1/20 0.42

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
SCHEMBL5310179 0.87 HTR2A (0.54) HTR2ASLC6A4KCNH2SCN9A
SCHEMBL4445272 0.84 PTGER4 (0.59) KDM4EPOLBPTGER4PTGER2EPAS1
SCHEMBL5836468 0.83 HTR2A (0.57) HTR2ASLC6A4KCNH2PTGER4SCN9A
SCHEMBL4739689 0.83 KMO (0.56) HTR2ASLC6A4KCNH2KMOKDM4E
SCHEMBL30775030 0.83 KMO (0.56) HTR2ASLC6A4KCNH2KMOKDM4E
SCHEMBL14541622 0.82 HTR2A (0.58) HTR2ASLC6A4KCNH2SCN9A
SCHEMBL5837318 0.81 HTR2A (0.52) HTR2ASLC6A4KCNH2SCN9A
SCHEMBL4112011 0.80 SCN8A (0.55) HTR2ASLC6A4KDM4EPOLBPTGER4
SCHEMBL2330578 0.79 ALDH1A1 (0.51) KCNH2POLBPTGER4EPAS1KEAP1
SCHEMBL16319305 0.79 SCN9A (0.65) HTR2ASLC6A4KCNH2KMOSCN9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084165-B2 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC (US) 2006-08-01 US disclosed
US-20040048856-A1 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC 2004-03-11 US disclosed
US-6677378-B2 AS SEROTONIN, NOREPINEPHRINE AND DOPAMINE REUPTAKE INHIBITORS, FOR THERAPY OF CENTRAL NERVOUS SYSTEM AND OTHER DISORDERS PFIZER INC. 2004-01-13 US disclosed
US-20020143003-A1 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC. 2002-10-03 US disclosed
EP-1154984-A1 INHIBITORS FOR UPTAKE OF SEROTONINE, DOPAMINE OR NOREPINEPHRINE Pfizer Products Inc. (US) 2001-11-21 EP disclosed
WO-2000050380-A1 MONOAMINE REUPTAKE INHIBITORS FOR TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2000-08-31 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-20020143003-A1 Monoamine reuptake inhibitors for treatment of CNS disorders SLC6A2, SLC6A4, SLC6A3 HTR2A 24/4885SLC6A4 2/4885KCNH2 1224/4885
US-20040048856-A1 Monoamine reuptake inhibitors for treatment of CNS disorders SLC6A2, SLC6A3, SLC18A2 HTR2A 14/4885SLC6A4 4/4885KCNH2 1492/4885

“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.