SCHEMBL500115

SCHEMBL500115

Clc1ccc(Br)cc1Cc1ccc(CCCBr)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.34
SLC6A4 P31645 3/20 0.34
KCNH2 Q12809 2/20 0.34
CCR5 P51681 4/20 0.33
TAAR1 Q96RJ0 2/20 0.33
IGF1R P08069 2/20 0.33
ALOX15 P16050 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SLC5A1 P13866 4/20 0.31
SLC5A2 P31639 4/20 0.31
PTPRC P08575 1/20 0.31
PTPRG P23470 1/20 0.31

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
SCHEMBL499730 0.86 CYP11B1 (0.38) HTR2ASLC6A4KCNH2IGF1RALOX15
SCHEMBL500031 0.83 SLC6A4 (0.37) HTR2ASLC6A4KCNH2CCR5SLC6A2
SCHEMBL500175 0.82 CA2 (0.38) HTR2ASLC6A4KCNH2SLC5A1SLC5A2
SCHEMBL12782162 0.81 CCR5 (0.47) HTR2ASLC6A4KCNH2CCR5
SCHEMBL29198766 0.81 HTR2A (0.37) HTR2ASLC6A4KCNH2CCR5TAAR1
SCHEMBL499758 0.79 HTR2A (0.32) HTR2ASLC6A4KCNH2CCR5SLC5A1
SCHEMBL1457579 0.78 APP (0.40) HTR2ASLC6A4KCNH2CCR5SLC6A2
SCHEMBL17842 0.78 MEN1 (0.46) HTR2ASLC6A4KCNH2CCR5ALOX15
SCHEMBL499287 0.78 SLC5A2 (0.38) HTR2ASLC6A4KCNH2CCR5SLC6A2
SCHEMBL37715 0.78 SLC5A2 (0.47) HTR2ASLC6A4KCNH2CCR5SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318562-A2 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos Sub, LLC (US) 2018-05-09 EP disclosed
EP-3318562-A2 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos Sub, LLC (US) 2018-05-09 EP disclosed
US-8802637-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2014-08-12 US disclosed
US-8802637-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2014-08-12 US disclosed
US-8802637-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2014-08-12 US disclosed
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2014-01-30 US disclosed
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2014-01-30 US disclosed
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2014-01-30 US disclosed
US-8575321-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2013-11-05 US disclosed
US-8575321-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2013-11-05 US disclosed
US-7838499-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
US-7838499-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
US-7838499-B2 Benzylbenzene derivatives and methods of use THERACOS, INC. (US) 2010-11-23 US disclosed
CN-101790311-A Benzylbenzene derivatives and using method THERACOS INC 2010-07-28 CN disclosed
EP-2187742-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE Theracos, Inc. (US) 2010-05-26 EP disclosed
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOSBIO, LLC 2009-05-07 US disclosed
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOSBIO, LLC 2009-05-07 US disclosed
US-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOSBIO, LLC 2009-05-07 US disclosed
WO-2009026537-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2009-02-26 WO disclosed
WO-2009026537-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2009-02-26 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-20090118201-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 HTR2A 1353/4885SLC6A4 35/4885KCNH2 705/4885
US-20140031300-A1 BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A2, SLC5A1, SLC2A4 HTR2A 1353/4885SLC6A4 35/4885KCNH2 705/4885

“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.