SCHEMBL4403513

SCHEMBL4403513

[C-]#[N+]c1ccc(CN2CCC(NC3CCc4cc(OC5CCN(c6ccc(C(F)(F)F)cc6)CC5)ccc43)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
CCR2 P41597 1/20 0.37
TEAD1 P28347 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
PRKAA2 P54646 1/20 0.37
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
BACE1 P56817 1/20 0.37
CHRM4 P08173 1/20 0.36
MCHR1 Q99705 3/20 0.36
KCNH2 Q12809 2/20 0.36
SLC6A5 Q9Y345 1/20 0.36
CHRM2 P08172 1/20 0.36
DRD4 P21917 1/20 0.36
BDKRB1 P46663 1/20 0.35
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
SIGMAR1 Q99720 2/20 0.35

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
SCHEMBL650308 0.91 PRKAA2 (0.45) ADRB2TEAD1PPARDPPARAPRKAA2
SCHEMBL648183 0.89 ADRB2 (0.41) ADRB2CCR2TEAD1PPARDPPARA
SCHEMBL647387 0.88 HRH3 (0.45) ADRB2CCR2PRKAA2CHRM4SLC6A5
SCHEMBL648364 0.80 HRH3 (0.39) CCR2TEAD1
SCHEMBL12265092 0.80 LIPG (0.38) CCR2PRKAA2
Hydrochloric Acid SCHEMBL650232 0.80 HRH3 (0.39) CCR2TEAD1
SCHEMBL3720670 0.79 EPHX2 (0.42) CCR2TEAD1PPARDPPARA
SCHEMBL10112784 0.76 SLC6A5 (0.47) ADRB2TEAD1PRKAA2CHRM4MCHR1
SCHEMBL648726 0.76 GPR119 (0.46) CCR2
SCHEMBL10112757 0.75 SSTR5 (0.52) ADRB2TEAD1PRKAA2MCHR1KCNH2

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 12 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-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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 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 (6 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 ADRB2 1500/4885CCR2 1346/4885TEAD1 3828/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 ADRB2 1500/4885CCR2 1346/4885TEAD1 3828/4885
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 ADRB2 1915/4885CCR2 2054/4885TEAD1 2575/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 ADRB2 1915/4885CCR2 2054/4885TEAD1 2575/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS ADRB2 822/4885CCR2 1782/4885TEAD1 4690/4885
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 ADRB2 1950/4885CCR2 1831/4885TEAD1 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.