SCHEMBL2881823

SCHEMBL2881823

O=Cc1cc(Br)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.53
SLC6A4 P31645 14/20 0.53
KCNH2 Q12809 12/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.46
EPAS1 Q99814 1/20 0.45
ERN1 O75460 1/20 0.41
HSP90AA1 P07900 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMO O15229 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5838562 0.88 HTR2A (0.53) HTR2ASLC6A4KCNH2EPAS1ERN1
SCHEMBL4939724 0.82 HTR2A (0.53) HTR2ASLC6A4KCNH2EPAS1SLC6A2
SCHEMBL5321373 0.80 LMNA (0.61) HTR2ASLC6A4KCNH2HSP90AA1SLC6A2
SCHEMBL5837555 0.78 HTR2A (0.56) HTR2ASLC6A4KCNH2EPAS1ALDH1A1
SCHEMBL5837334 0.78 HTR2A (0.57) HTR2ASLC6A4KCNH2KMO
SCHEMBL6151744 0.78 KMT2A (0.46) HTR2ASLC6A4KCNH2EPAS1ERN1
SCHEMBL274863 0.78 PTGDR2 (0.48) SLC6A4PTGDR2EPAS1ERN1ALDH1A1
SCHEMBL275629 0.78 LMNA (0.61) PTGDR2ERN1ALDH1A1
SCHEMBL2075254 0.78 LMNA (0.62) SLC6A4PTGDR2ERN1ALDH1A1
SCHEMBL31287740 0.77 TUBB1 (0.49) HTR2ASLC6A4KCNH2ERN1HSP90AA1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256122-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-10-07 US disclosed
US-7767666-B2 Butyl and butynyl benzyl amine compounds JANSSEN PHARMACEUTICA NV (BE) 2010-08-03 US disclosed
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-05-28 US disclosed
EP-2049473-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-22 EP disclosed
EP-2049466-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-22 EP disclosed
EP-2046747-A1 SUBSTITUTED AMINOMETHYL BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-15 EP disclosed
US-7479493-B2 Substituted benzyl amine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-20 US disclosed
US-20080045508-A1 SUBSTITUTED AMINOMETHYL BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
WO-2008002817-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO 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
CN-1378527-A Biaryl ether derivatives useful as monoamine reuptake inhibitors PFIZER PROD INC (US) 2002-11-06 CN 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 (6 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-20100256122-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 HTR2A 16/4885SLC6A4 10/4885KCNH2 1925/4885
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 HTR2A 15/4885SLC6A4 8/4885KCNH2 1234/4885
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 HTR2A 15/4885SLC6A4 8/4885KCNH2 1234/4885
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-20080045508-A1 SUBSTITUTED AMINOMETHYL BENZAMIDE COMPOUNDS HNMT, HRH3, HRH4 HTR2A 12/4885SLC6A4 6/4885KCNH2 1249/4885

“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.