SCHEMBL10112784

SCHEMBL10112784

[C-]#[N+]c1ccc(CN2CCC(NC(=O)c3cc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccn3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.47
DRD4 P21917 2/20 0.47
TEAD1 P28347 1/20 0.45
PRKAA2 P54646 5/20 0.44
ADRB2 P07550 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
PRKAB2 O43741 2/20 0.43
PRKAG1 P54619 2/20 0.43
PRKAA1 Q13131 2/20 0.43
PRKAG3 Q9UGI9 2/20 0.43
PRKAG2 Q9UGJ0 2/20 0.43
PRKAB1 Q9Y478 2/20 0.43
UTS2R Q9UKP6 1/20 0.43
ACKR3 P25106 2/20 0.42
CYP3A4 P08684 1/20 0.42
SSTR5 P35346 1/20 0.42
CHRM4 P08173 1/20 0.42
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL650631 0.91 PRKAA2 (0.51) SLC6A5DRD4TEAD1PRKAA2PRKAB2
SCHEMBL648255 0.91 SLC6A5 (0.49) SLC6A5DRD4TEAD1PRKAA2ADRB2
SCHEMBL648464 0.88 PRKAA2 (0.57) SLC6A5PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL10112767 0.87 DRD4 (0.51) SLC6A5DRD4TEAD1PRKAA2ADRB2
SCHEMBL10112757 0.85 SSTR5 (0.52) SLC6A5DRD4TEAD1PRKAA2ADRB2
SCHEMBL10112704 0.82 PRKAA2 (0.52) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL648104 0.81 SLC6A5 (0.53) SLC6A5DRD4TEAD1PRKAA2ADRB2
SCHEMBL3666697 0.80 PRKAA2 (0.43) SLC6A5DRD4PRKAA2PRKAB2PRKAG1
SCHEMBL646655 0.79 HIF1A (0.54) SLC6A5DRD4TEAD1PRKAA2ADRB2
SCHEMBL3660163 0.79 F10 (0.39) SLC6A5DRD4PRKAA2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119809-B2 AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 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 (1 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-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 SLC6A5 4395/4885DRD4 4087/4885TEAD1 3214/4885

“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.