SCHEMBL648607

SCHEMBL648607

O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cncc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 9/20 0.55
SSTR5 P35346 3/20 0.54
DRD4 P21917 1/20 0.53
SLC6A5 Q9Y345 2/20 0.51
CCR3 P51677 1/20 0.51
PRKAB2 O43741 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAG3 Q9UGI9 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
MCHR1 Q99705 2/20 0.49
SLC6A12 P48065 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
TEAD1 P28347 1/20 0.48
KCNH2 Q12809 1/20 0.48
CHRM4 P08173 1/20 0.47

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
SCHEMBL649704 0.94 SSTR5 (0.54) PRKAA2SSTR5DRD4SLC6A5PRKAB2
SCHEMBL649863 0.92 PRKAA2 (0.57) PRKAA2SSTR5DRD4SLC6A5PRKAB2
SCHEMBL10112757 0.91 SSTR5 (0.52) PRKAA2SSTR5DRD4SLC6A5PRKAB2
SCHEMBL649468 0.89 SLC6A5 (0.64) SSTR5DRD4SLC6A5MCHR1SIGMAR1
SCHEMBL646445 0.85 PRKAA2 (0.62) PRKAA2DRD4SLC6A5CCR3PRKAB2
SCHEMBL647932 0.84 DRD4 (0.53) PRKAA2SSTR5DRD4SLC6A5CCR3
SCHEMBL650631 0.84 PRKAA2 (0.51) PRKAA2DRD4SLC6A5CCR3PRKAB2
SCHEMBL2388500 0.84 DRD4 (0.57) DRD4SLC6A5CCR3MCHR1TEAD1
SCHEMBL2388979 0.84 DRD4 (0.57) PRKAA2DRD4SLC6A5CCR3PRKAB2
SCHEMBL12226741 0.83 PRKAA2 (0.45) PRKAA2SSTR5SLC6A5TEAD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231600-B1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP claimed
US-8569340-B2 AMPK-activating piperidinyloxypyiridine carboxamide and sulfonamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-29 US claimed
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-10 US claimed
EP-2231600-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP claimed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US claimed
WO-2009065131-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-22 WO claimed
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-9174964-B2 AMPK-activating piperidinyloxy-substituted 2,3-dihydro-1H-indene-1-amine compounds and pharmaceutical compositions including the same RIGEL PHARMACEUTICALS, INC. (US) 2015-11-03 US disclosed
US-9174964-B2 AMPK-activating piperidinyloxy-substituted 2,3-dihydro-1H-indene-1-amine compounds and pharmaceutical compositions including the same RIGEL PHARMACEUTICALS, INC. (US) 2015-11-03 US disclosed
EP-2231600-B1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP disclosed
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them RIGEL PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them RIGEL PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
EP-1966129-B1 CARBONATES OF FENICOL ANTIBIOTICS SCHERING PLOUGH LTD (CH) 2011-08-17 EP disclosed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
EP-1966129-A2 CARBONATES OF FENICOL ANTIBIOTICS Schering-Plough Ltd. (CH) 2008-09-10 EP disclosed
WO-2007079010-A2 CARBONATES OF FENICOL ANTIBIOTICS SCHERING-PLOUGH LTD. (CH) 2007-07-12 WO disclosed
US-20070155799-A1 CARBONATES OF FENICOL ANTIBIOTICS INTERVET INC. 2007-07-05 US 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 (5 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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 PRKAA2 413/4885SSTR5 3968/4885DRD4 3588/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 PRKAA2 2/4885SSTR5 1564/4885DRD4 4704/4885
US-20070155799-A1 CARBONATES OF FENICOL ANTIBIOTICS CYP4F3, TET1, CYP4F2 PRKAA2 2716/4885SSTR5 2418/4885DRD4 2327/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS PRKAA2 356/4885SSTR5 2391/4885DRD4 3528/4885
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 PRKAA2 3/4885SSTR5 870/4885DRD4 4087/4885

“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.