SCHEMBL991369

SCHEMBL991369

FC(F)(F)c1ccc(CCBr)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.50
TRPV4 Q9HBA0 1/20 0.48
TKT P29401 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PDPK1 O15530 1/20 0.39
KCNH2 Q12809 2/20 0.36
HTR2A P28223 1/20 0.36
GRIN2B Q13224 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRIN1 Q05586 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL991269 0.89 DAO (0.48) DAOTRPV4TKTKDM1AMAOA
SCHEMBL934644 0.84 TRPV4 (0.52) DAOTRPV4TKTKDM1AMAOA
SCHEMBL264730 0.81 TAAR1 (0.52) DAOTRPV4TKTKDM1AMAOA
SCHEMBL3851699 0.81 DAO (0.50) DAOTRPV4TKTKDM1AMAOA
SCHEMBL28513175 0.81 TRPV4 (0.48) DAOTRPV4TKTKDM1AMAOA
SCHEMBL2468426 0.81 DAO (0.37) DAOPDPK1KCNH2HTR2ATDP1
SCHEMBL694114 0.81 DAO (0.50) DAOTRPV4TKTKDM1AMAOA
SCHEMBL30074791 0.81 TRPV4 (0.48) DAOTRPV4TKTKDM1AMAOA
SCHEMBL19615786 0.81 TRPV4 (0.53) DAOTRPV4TKTKDM1AMAOA
SCHEMBL1259004 0.81 TKT (0.55) DAOTRPV4TKTKDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017198812-A2 PROCESS FOR THE MANUFACTURE OF 2-SUBSTITUTED-5-(1-METHYLTHIO)ALKYLPYRIDINES SOLVAY SA (BE) 2017-11-23 WO disclosed
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed
WO-2016100940-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2016-06-23 WO disclosed
US-9260429-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-16 US disclosed
EP-2274307-B1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2015-07-29 EP disclosed
US-9051314-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-06-09 US disclosed
US-9034869-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-8999977-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 US disclosed
US-20140024643-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-01-23 US disclosed
CN-103467471-A Organic compounds INTRA CELLULAR THERAPIES INC 2013-12-25 CN disclosed
EP-2280968-A2 PYRIDO [3, 4-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-02-09 EP disclosed
EP-2274307-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-01-19 EP disclosed
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-04-22 US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 WO disclosed
WO-2009120720-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES,INC. (US) 2009-10-01 WO disclosed
EP-2086936-A2 PROCESS FOR THE PREPARATION OF 2-SUBSTITUTED-5-(1-ALKYLTHIO)ALKYLPYRIDINES Dow AgroSciences LLC (US) 2009-08-12 EP disclosed
CN-101248050-A Organic compounds INTRA CELLULAR THERAPIES INC (US) 2008-08-20 CN disclosed
WO-2008066558-A2 PROCESS FOR THE PREPARATION OF 2-SUBSTITUTED-5-(1-ALKYLTHIO)ALKYLPYRIDINES DOW AGROSCIENCES LLC (US) 2008-06-05 WO disclosed
CN-1918165-A Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL MYERS SQUIBB CO (US) 2007-02-21 CN 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-20140024643-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C DAO 334/4885TRPV4 667/4885TKT 1595/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C DAO 219/4885TRPV4 669/4885TKT 1481/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C DAO 334/4885TRPV4 667/4885TKT 1595/4885

“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.