SCHEMBL5837555

SCHEMBL5837555

O=Cc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.56
SLC6A4 P31645 9/20 0.56
KCNH2 Q12809 8/20 0.56
EPAS1 Q99814 3/20 0.45
FFAR1 O14842 3/20 0.43
MEN1 O00255 1/20 0.43
TTR P02766 1/20 0.43
PPOX P50336 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 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
SCHEMBL19563652 0.86 HTR2A (0.51) HTR2ASLC6A4KCNH2EPAS1FFAR1
SCHEMBL11124773 0.83 MEN1 (0.54) HTR2ASLC6A4KCNH2EPAS1FFAR1
SCHEMBL18570871 0.83 SCN8A (0.50) HTR2ASLC6A4KCNH2FFAR1MEN1
SCHEMBL18570579 0.81 L3MBTL1 (0.46) HTR2ASLC6A4KCNH2EPAS1FFAR1
SCHEMBL4939724 0.81 HTR2A (0.53) HTR2ASLC6A4KCNH2EPAS1KMT2A
SCHEMBL22809589 0.80 SLC6A4 (0.56) HTR2ASLC6A4KCNH2FFAR1KMT2A
SCHEMBL18570517 0.80 L3MBTL1 (0.62) HTR2ASLC6A4KCNH2L3MBTL1RAB9A
SCHEMBL19563647 0.80 SCN8A (0.46) HTR2ASLC6A4KCNH2FFAR1KMT2A
SCHEMBL276174 0.80 EPAS1 (0.46) HTR2ASLC6A4KCNH2EPAS1FFAR1
SCHEMBL7138558 0.80 LMNA (0.57) EPAS1FFAR1TTRKMT2AL3MBTL1

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.