SCHEMBL1077166

SCHEMBL1077166

N#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.68
SLC6A5 Q9Y345 5/20 0.67
PRKAA2 P54646 5/20 0.64
DRD2 P14416 1/20 0.61
TEAD1 P28347 1/20 0.61
SIGMAR1 Q99720 3/20 0.60
CCR2 P41597 1/20 0.59
PRKAB2 O43741 3/20 0.58
PRKAG1 P54619 3/20 0.58
PRKAA1 Q13131 3/20 0.58
PRKAG3 Q9UGI9 3/20 0.58
PRKAG2 Q9UGJ0 3/20 0.58
PRKAB1 Q9Y478 3/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
HTR2A P28223 1/20 0.58
SLC6A12 P48065 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
MCHR1 Q99705 1/20 0.57

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
SCHEMBL13666792 0.95 DRD4 (0.62) DRD4SLC6A5PRKAA2DRD2TEAD1
SCHEMBL1032926 0.88 DRD4 (0.60) DRD4SLC6A5PRKAA2DRD2TEAD1
SCHEMBL4341273 0.88 PRKAA2 (0.67) PRKAA2SIGMAR1PRKAB2PRKAG1PRKAA1
SCHEMBL2508098 0.88 TMEM97 (0.71) DRD4PRKAA2SIGMAR1PRKAB2PRKAG1
SCHEMBL518119 0.87 PRKAA2 (0.68) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1077165 0.87 DRD4 (0.58) DRD4SLC6A5PRKAA2DRD2TEAD1
SCHEMBL14649115 0.87 PRKAA2 (0.66) PRKAA2SIGMAR1PRKAB2PRKAG1PRKAA1
SCHEMBL63417 0.87 PRKAA2 (0.69) DRD4PRKAA2SIGMAR1PRKAB2PRKAG1
SCHEMBL15171521 0.86 DRD4 (0.62) DRD4SLC6A5PRKAA2DRD2CCR2
SCHEMBL518117 0.86 PRKAA2 (0.85) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871770-B2 Carboxamide compounds and methods for using the same MIDCAP FINANCIAL TRUST 2014-10-28 US claimed
US-20140148467-A1 Carboxamide Compounds and Methods for Using the Same RIGEL PHARMACEUTICALS, INC. (US) 2014-05-29 US claimed
JP-2011527665-A 2011-11-04 JP claimed
EP-2276761-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2011-01-26 EP claimed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 US claimed
WO-2009132136-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-10-29 WO 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
US-9353111-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-9353111-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2016-05-05 US disclosed
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2016-05-05 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
EP-2276761-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2011-01-26 EP disclosed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 US disclosed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 US disclosed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 US disclosed
WO-2009132136-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-10-29 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 DRD4 3588/4885SLC6A5 3833/4885PRKAA2 413/4885
US-20140148467-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 DRD4 2543/4885SLC6A5 4798/4885PRKAA2 3/4885
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 DRD4 2543/4885SLC6A5 4798/4885PRKAA2 3/4885
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same PC, AK2, PRKAA2 DRD4 2543/4885SLC6A5 4798/4885PRKAA2 3/4885

“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.