SCHEMBL4401680

SCHEMBL4401680

Cc1ccc(N2CCC(Oc3ccc4oc(C(=O)NC5CCN(Cc6ccc(C(F)(F)F)cc6)CC5)cc4c3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.49
MCHR1 Q99705 6/20 0.47
SLC6A5 Q9Y345 1/20 0.47
KCNH2 Q12809 2/20 0.46
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
TEAD1 P28347 1/20 0.45
ACHE P22303 1/20 0.45
ADRB2 P07550 1/20 0.45
SLC6A4 P31645 1/20 0.44
UTS2R Q9UKP6 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
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
SCHEMBL648322 0.96 DRD4 (0.52) DRD4MCHR1SLC6A5KCNH2TEAD1
SCHEMBL4403482 0.95 DRD4 (0.51) DRD4MCHR1SLC6A5KCNH2UBE2M
SCHEMBL15354427 0.93 DRD4 (0.49) DRD4MCHR1SLC6A5KCNH2TEAD1
SCHEMBL649755 0.93 SLC6A5 (0.54) DRD4MCHR1SLC6A5KCNH2ACHE
SCHEMBL650231 0.92 DRD4 (0.47) DRD4MCHR1SLC6A5KCNH2TEAD1
SCHEMBL649466 0.91 DRD4 (0.55) DRD4MCHR1SLC6A5KCNH2TEAD1
SCHEMBL648326 0.88 DRD4 (0.52) DRD4MCHR1SLC6A5KCNH2TEAD1
SCHEMBL15482290 0.88 DRD4 (0.52) DRD4MCHR1SLC6A5KCNH2TEAD1
SCHEMBL649181 0.88 UTS2R (0.47) DRD4MCHR1SLC6A5KCNH2TEAD1
SCHEMBL649182 0.88 UTS2R (0.47) DRD4MCHR1SLC6A5KCNH2TEAD1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them RIGEL PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds MIDCAP FINANCIAL TRUST 2014-10-30 US disclosed
US-8796254-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2014-02-20 US disclosed
US-8569340-B2 AMPK-activating piperidinyloxypyiridine carboxamide and sulfonamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
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 disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 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 DRD4 3588/4885MCHR1 4200/4885SLC6A5 3833/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 DRD4 3588/4885MCHR1 4200/4885SLC6A5 3833/4885
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 DRD4 4704/4885MCHR1 3495/4885SLC6A5 4782/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 DRD4 4704/4885MCHR1 3495/4885SLC6A5 4782/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS DRD4 3528/4885MCHR1 3477/4885SLC6A5 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.