SCHEMBL2390902

SCHEMBL2390902

O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(OC2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.66
CHRM2 P08172 1/20 0.64
CHRM1 P11229 1/20 0.64
TMEM97 Q5BJF2 3/20 0.62
SIGMAR1 Q99720 2/20 0.62
SLC6A12 P48065 2/20 0.62
MCHR1 Q99705 1/20 0.62
DRD4 P21917 3/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
BCHE P06276 1/20 0.60
ACHE P22303 1/20 0.60
BACE1 P56817 1/20 0.60
HTR2A P28223 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60

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
SCHEMBL4441011 0.90 SLC6A5 (0.55) SLC6A5CHRM2CHRM1TMEM97SIGMAR1
SCHEMBL2388388 0.89 SLC6A5 (0.57) SLC6A5CHRM2CHRM1TMEM97SIGMAR1
SCHEMBL2390334 0.89 UTS2R (0.63) SLC6A5CHRM2CHRM1TMEM97SIGMAR1
SCHEMBL61628 0.84 DRD4 (0.78) SLC6A5TMEM97SIGMAR1SLC6A12MCHR1
SCHEMBL12437572 0.83 TMEM97 (0.61) SLC6A5TMEM97SIGMAR1SLC6A12MCHR1
SCHEMBL15171511 0.82 PRKAA2 (0.59) MCHR1DRD4KMT2AHTR2ACYP3A4
SCHEMBL14146933 0.82 UTS2R (0.62) SLC6A5SLC6A12MCHR1DRD4MEN1
SCHEMBL2393679 0.82 DRD4 (0.69) SLC6A5TMEM97SIGMAR1SLC6A12MCHR1
SCHEMBL2390910 0.82 MAPK1 (0.65) SLC6A5TMEM97SIGMAR1SLC6A12MCHR1
SCHEMBL61848 0.81 TMEM97 (0.83) TMEM97SIGMAR1SLC6A12MCHR1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079694-B1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS INC (US) 2017-03-01 EP claimed
US-9181220-B2 N-substituted-heterocycloalkyloxybenzamide compounds and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2015-11-10 US claimed
US-20140179738-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2014-06-26 US claimed
US-20090186894-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2009-07-23 US claimed
EP-2079694-B1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS INC (US) 2017-03-01 EP disclosed
EP-2079694-B1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS INC (US) 2017-03-01 EP disclosed
US-9511058-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS INC. (US) 2016-12-06 US disclosed
US-9511058-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS INC. (US) 2016-12-06 US disclosed
US-9511058-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS INC. (US) 2016-12-06 US disclosed
US-9409884-B2 5- or 6-substituted benzofuran-2-carboxamide compounds and methods for using them RIGEL PHARMACEUTICALS, INC. (US) 2016-08-09 US disclosed
US-9409884-B2 5- or 6-substituted benzofuran-2-carboxamide compounds and methods for using them RIGEL PHARMACEUTICALS, INC. (US) 2016-08-09 US disclosed
US-9181220-B2 N-substituted-heterocycloalkyloxybenzamide compounds and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-8012955-B2 N-substituted-heterocycloalkyloxybenzamide compounds and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2011-09-06 US disclosed
US-8012955-B2 N-substituted-heterocycloalkyloxybenzamide compounds and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2011-09-06 US disclosed
US-20090186894-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2009-07-23 US disclosed
US-20090186894-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2009-07-23 US disclosed
US-20090186894-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2009-07-23 US disclosed
EP-2079694-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE Rigel Pharmaceuticals, Inc. (US) 2009-07-22 EP disclosed
WO-2008083124-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
WO-2008083124-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 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-20140179738-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use PRKAG2, PRKAB2, PRKAG1 SLC6A5 4736/4885CHRM2 868/4885CHRM1 1091/4885
US-20090186894-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use PRKAG2, PRKAB2, PRKAG1 SLC6A5 4736/4885CHRM2 868/4885CHRM1 1091/4885

“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.