SCHEMBL61506

SCHEMBL61506

CC(=O)n1c2c(c3cc(C(=O)NC4CCN(Cc5cccnc5)CC4)ccc31)CN(Cc1ccc(C(F)(F)F)cc1)CC2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.58
DRD4 P21917 5/20 0.51
HIF1A Q16665 5/20 0.50
EPAS1 Q99814 5/20 0.50
CXCR4 P61073 1/20 0.46
DRD2 P14416 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
SMO Q99835 1/20 0.43
SSTR5 P35346 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL62830 0.97 SLC6A5 (0.56) SLC6A5DRD4HIF1AEPAS1CXCR4
SCHEMBL62031 0.92 SLC6A5 (0.60) SLC6A5DRD4HIF1AEPAS1CXCR4
SCHEMBL15473187 0.89 SLC6A5 (0.56) SLC6A5DRD4HIF1AEPAS1CXCR4
SCHEMBL61321 0.83 DRD4 (0.59) SLC6A5DRD4DRD2MEN1KMT2A
SCHEMBL61841 0.82 SLC6A5 (0.61) SLC6A5DRD4HIF1AEPAS1CXCR4
SCHEMBL69676 0.78 DRD4 (0.51) SLC6A5DRD4DRD2MEN1KMT2A
SCHEMBL61238 0.78 DRD4 (0.53) SLC6A5DRD4DRD2
SCHEMBL61207 0.75 HDAC1 (0.56) SLC6A5DRD4HIF1AEPAS1DRD2
SCHEMBL21568004 0.74 SLC6A5 (1.00) SLC6A5DRD4HIF1AEPAS1CXCR4
SCHEMBL60695 0.74 HDAC1 (0.58) SLC6A5DRD4CXCR4SIGMAR1

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 32 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-8895578-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-11-25 US claimed
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2014-02-13 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-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-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them RIGEL PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-8895578-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-11-25 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-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
WO-2009076631-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-06-18 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 (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 SLC6A5 3833/4885DRD4 3588/4885HIF1A 497/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 SLC6A5 4540/4885DRD4 2946/4885HIF1A 711/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS SLC6A5 4694/4885DRD4 3528/4885HIF1A 513/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 SLC6A5 4540/4885DRD4 2946/4885HIF1A 711/4885

“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.