SCHEMBL4403502

SCHEMBL4403502

Cc1ccc(N2CCC(Oc3ccc4oc(C(=O)N(C)C5CCN(Cc6ccc(C(F)(F)F)cc6)CC5)cc4c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
KCNH2 Q12809 7/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
CHRM4 P08173 2/20 0.42
GPR119 Q8TDV5 6/20 0.42
MCHR1 Q99705 1/20 0.42
PRKAA2 P54646 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
CCR3 P51677 1/20 0.40

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
SCHEMBL649754 0.98 ADRB2 (0.47) ADRB2KCNH2PPARDPPARACHRM4
SCHEMBL13845633 0.95 MAOB (0.44) KCNH2MCHR1MAOAMAOBDRD2
SCHEMBL649378 0.93 ADRB2 (0.43) ADRB2KCNH2PPARDPPARACHRM4
SCHEMBL649609 0.92 MAOA (0.48) ADRB2KCNH2PPARDPPARACHRM4
SCHEMBL4402665 0.91 MAOB (0.42) KCNH2MCHR1MAOAMAOBDRD2
SCHEMBL16927798 0.90 ADRB2 (0.52) ADRB2KCNH2PPARDPPARAGPR119
SCHEMBL4403491 0.89 MAOA (0.53) KCNH2MCHR1PRKAA2MAOAMAOB
SCHEMBL647391 0.89 SLC6A5 (0.44) ADRB2KCNH2CHRM4MCHR1
SCHEMBL647419 0.88 CHRM4 (0.40) ADRB2KCNH2CHRM4MCHR1MAOA
SCHEMBL4401680 0.87 DRD4 (0.49) ADRB2KCNH2MCHR1DRD4

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 ADRB2 1500/4885KCNH2 3255/4885PPARD 130/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 ADRB2 1500/4885KCNH2 3255/4885PPARD 130/4885
US-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 ADRB2 1915/4885KCNH2 3860/4885PPARD 127/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 ADRB2 1915/4885KCNH2 3860/4885PPARD 127/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS ADRB2 822/4885KCNH2 3626/4885PPARD 150/4885

“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.