SCHEMBL61826

SCHEMBL61826

O=C(NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc2[nH]c3c(c2c1)CN(Cc1ccccc1)CC3

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.61
SLC6A5 Q9Y345 1/20 0.58
HDAC1 Q13547 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
AKR1B1 P15121 1/20 0.56
DRD2 P14416 1/20 0.56
SIGMAR1 Q99720 3/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ACHE P22303 1/20 0.53
SLC6A12 P48065 2/20 0.52
TMEM97 Q5BJF2 1/20 0.52
MCHR1 Q99705 1/20 0.52
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
KCNH2 Q12809 1/20 0.51
SLC6A13 Q9NSD5 1/20 0.51

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
SCHEMBL62750 0.97 HDAC1 (0.60) DRD4SLC6A5HDAC1HDAC6AKR1B1
SCHEMBL61475 0.95 DRD4 (0.55) DRD4SLC6A5HDAC1HDAC6AKR1B1
SCHEMBL62174 0.94 HDAC1 (0.64) DRD4SLC6A5HDAC1HDAC6AKR1B1
SCHEMBL60808 0.93 HDAC1 (0.56) DRD4SLC6A5HDAC1HDAC6AKR1B1
SCHEMBL62414 0.93 HDAC1 (0.56) DRD4SLC6A5HDAC1HDAC6AKR1B1
SCHEMBL61207 0.93 HDAC1 (0.56) DRD4SLC6A5HDAC1HDAC6AKR1B1
SCHEMBL3806595 0.92 HDAC1 (0.57) DRD4SLC6A5HDAC1HDAC6AKR1B1
SCHEMBL61841 0.92 SLC6A5 (0.61) DRD4SLC6A5HDAC1HDAC6AKR1B1
SCHEMBL13809378 0.91 HDAC1 (0.64) DRD4HDAC1HDAC6AKR1B1DRD2
SCHEMBL62395 0.91 HDAC1 (0.54) DRD4SLC6A5HDAC1HDAC6AKR1B1

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
WO-2011123681-A1 METHODS FOR USING CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 WO 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 DRD4 3588/4885SLC6A5 3833/4885HDAC1 340/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 DRD4 2946/4885SLC6A5 4540/4885HDAC1 753/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS DRD4 3528/4885SLC6A5 4694/4885HDAC1 756/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 DRD4 2946/4885SLC6A5 4540/4885HDAC1 753/4885

“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.