SCHEMBL5837334

SCHEMBL5837334

N#Cc1ccc(Oc2ccc(Cl)c(Cl)c2)c(C=O)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.57
SLC6A4 P31645 10/20 0.57
KCNH2 Q12809 9/20 0.57
MERTK Q12866 1/20 0.41
AR P10275 3/20 0.40
FFAR1 O14842 1/20 0.38
CYP19A1 P11511 1/20 0.38
PLA2G7 Q13093 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
KMO O15229 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
SCHEMBL5837353 0.89 HTR2A (0.57) HTR2ASLC6A4KCNH2MERTKAR
SCHEMBL14871813 0.81 SLC6A4 (0.46) HTR2ASLC6A4KCNH2ARCYP19A1
SCHEMBL15787124 0.80 TBXA2R (0.47) ARSLC22A12
SCHEMBL276668 0.80 MERTK (0.46) HTR2ASLC6A4KCNH2MERTKAR
SCHEMBL4939724 0.78 HTR2A (0.53) HTR2ASLC6A4KCNH2KMO
SCHEMBL2881823 0.78 HTR2A (0.53) HTR2ASLC6A4KCNH2KMO
SCHEMBL5837567 0.78 HTR2A (0.65) HTR2ASLC6A4KCNH2ARFFAR1
SCHEMBL2531379 0.77 AR (0.45) HTR2ASLC6A4KCNH2MERTKAR
SCHEMBL7936122 0.77 AR (0.54) HTR2ASLC6A4KCNH2MERTKAR
SCHEMBL1798281 0.77 VCAM1 (0.53) MERTKARSLC22A12

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 12 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
EP-1220831-B1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PROD INC (US) 2005-06-08 EP 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-6596741-B2 Compounds of formula I exhibit activity as serotonin, norepinephrine, and dopamine reuptake inhibitors and can be used in the treatment of central nervous system and other disorders. PFIZER INC 2003-07-22 US disclosed
US-20030055038-A1 Novel biaryl ether derivatives useful as monoamine reuptake inhibitors PFIZER INC. 2003-03-20 US disclosed
US-20020143003-A1 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC. 2002-10-03 US disclosed
EP-1220831-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS Pfizer Products Inc. (US) 2002-07-10 EP disclosed
US-6410736-B1 CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-06-25 US disclosed
EP-1154984-A1 INHIBITORS FOR UPTAKE OF SEROTONINE, DOPAMINE OR NOREPINEPHRINE Pfizer Products Inc. (US) 2001-11-21 EP disclosed
WO-2001027068-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PRODUCTS INC. (US) 2001-04-19 WO 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 (3 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-20030055038-A1 Novel biaryl ether derivatives useful as monoamine reuptake inhibitors SLC6A2, SLC6A3, SLC18A2 HTR2A 24/4885SLC6A4 6/4885KCNH2 1835/4885
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.