SCHEMBL2389969

SCHEMBL2389969

O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(OC2CCN(Cc3ccc(F)c(F)c3)CC2)c(F)c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.73
MCHR1 Q99705 4/20 0.67
UTS2R Q9UKP6 2/20 0.62
SIGMAR1 Q99720 3/20 0.62
SLC6A12 P48065 2/20 0.59
TMEM97 Q5BJF2 1/20 0.59
DRD4 P21917 4/20 0.57
SLC6A13 Q9NSD5 1/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL2387674 0.94 POLB (0.64) POLBMCHR1UTS2RSIGMAR1SLC6A12
SCHEMBL2391006 0.94 POLB (0.74) POLBMCHR1UTS2RSIGMAR1DRD4
SCHEMBL2388998 0.93 POLB (0.71) POLBMCHR1UTS2RSIGMAR1SLC6A12
SCHEMBL2389917 0.93 MCHR1 (0.70) POLBMCHR1UTS2RSIGMAR1SLC6A12
SCHEMBL12227453 0.92 POLB (0.61) POLBMCHR1UTS2RSIGMAR1SLC6A12
SCHEMBL2390938 0.91 UTS2R (0.72) POLBMCHR1UTS2RSIGMAR1SLC6A12
SCHEMBL2388982 0.91 DRD4 (0.64) POLBMCHR1UTS2RSIGMAR1SLC6A12
SCHEMBL4441428 0.90 SLC6A12 (0.60) POLBMCHR1UTS2RSIGMAR1SLC6A12
SCHEMBL2388820 0.90 POLB (0.68) POLBMCHR1UTS2RDRD4KMT2A
SCHEMBL2390049 0.89 DRD4 (0.67) POLBMCHR1UTS2RSIGMAR1SLC6A12

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 46 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-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE Rigel Pharmaceuticals, Inc. (US) 2009-07-22 EP claimed
WO-2008083124-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO 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-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 POLB 2615/4885MCHR1 2867/4885UTS2R 1914/4885
US-20090186894-A1 N-Substituted-Heterocycloalkyloxybenzamide Compounds and Methods of Use PRKAG2, PRKAB2, PRKAG1 POLB 2615/4885MCHR1 2867/4885UTS2R 1914/4885

“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.