SCHEMBL61328

SCHEMBL61328

O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.67
CHRM1 P11229 3/20 0.67
SLC6A5 Q9Y345 2/20 0.67
CHRM4 P08173 2/20 0.64
DRD4 P21917 2/20 0.62
DRD2 P14416 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
SIGMAR1 Q99720 4/20 0.60
TMEM97 Q5BJF2 2/20 0.60
SLC6A12 P48065 1/20 0.60
MCHR1 Q99705 1/20 0.60
PRKAB2 O43741 2/20 0.60
PRKAG1 P54619 2/20 0.60
PRKAA2 P54646 2/20 0.60
PRKAA1 Q13131 2/20 0.60
PRKAG3 Q9UGI9 2/20 0.60
PRKAG2 Q9UGJ0 2/20 0.60
PRKAB1 Q9Y478 2/20 0.60
CYP1A2 P05177 1/20 0.58

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
SCHEMBL3664764 0.89 CHRM2 (0.55) CHRM2CHRM1SLC6A5CHRM4DRD4
SCHEMBL23744108 0.88 CHRM2 (0.76) CHRM2CHRM1SLC6A5CHRM4DRD4
SCHEMBL62082 0.87 SLC6A5 (0.81) SLC6A5CHRM4DRD4DRD2MEN1
SCHEMBL7214415 0.85 DRD4 (0.81) SLC6A5CHRM4DRD4DRD2MEN1
SCHEMBL61850 0.84 DRD2 (0.66) SLC6A5DRD4DRD2MEN1KMT2A
SCHEMBL1036032 0.84 PRKAA2 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL61848 0.82 TMEM97 (0.83) DRD4DRD2MEN1KMT2ASIGMAR1
SCHEMBL29432226 0.80 CHRM2 (1.00) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL23744053 0.79 CHRM2 (0.68) CHRM2CHRM1CHRM4PRKAA2CHRM5
SCHEMBL29432151 0.78 CHRM4 (1.00) CHRM2CHRM1CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231666-B1 Carboxamide, sulfonamide and amine compounds for metabolic disorders RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP claimed
US-8557822-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US claimed
US-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-03 US claimed
US-8129390-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-03-06 US claimed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 US claimed
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
EP-2231666-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-8129390-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-03-06 US disclosed
US-8129390-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-03-06 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 US disclosed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 US disclosed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 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 (4 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 CHRM2 1726/4885CHRM1 2777/4885SLC6A5 3833/4885
US-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 CHRM2 607/4885CHRM1 998/4885SLC6A5 4540/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 CHRM2 607/4885CHRM1 998/4885SLC6A5 4540/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS CHRM2 1418/4885CHRM1 2050/4885SLC6A5 4694/4885

“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.