SCHEMBL649967

SCHEMBL649967

Cc1c(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)oc2cc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.42
GPR119 Q8TDV5 10/20 0.42
RAB9A P51151 2/20 0.41
HRH3 Q9Y5N1 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TGFBR1 P36897 1/20 0.39
NPC1 O15118 1/20 0.39
P2RY14 Q15391 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL3669179 0.91 MAOA (0.41) RAB9AHRH3MAOAMAOBNPC1
SCHEMBL650725 0.87 MAOA (0.44) RAB9AMAOAMAOBNPC1
SCHEMBL648600 0.86 HDAC4 (0.46) HDAC4GPR119HRH3HDAC6CA12
SCHEMBL2504574 0.84 HDAC4 (0.46) HDAC4GPR119HRH3HDAC6
SCHEMBL649203 0.84 HDAC4 (0.45) HDAC4GPR119HRH3HDAC6
SCHEMBL650234 0.83 MCHR1 (0.49) MAOAMAOB
SCHEMBL650235 0.83 MAOB (0.49) MAOAMAOB
SCHEMBL648509 0.82 NPC1 (0.43) HDAC4GPR119RAB9ANPC1
SCHEMBL646829 0.81 MAOA (0.59) MAOAMAOB
SCHEMBL648759 0.81 RAB9A (0.47) RAB9AMAOAMAOBNPC1

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 27 patents — showing the first 20. 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 claimed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US 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-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-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-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-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds MIDCAP FINANCIAL TRUST 2014-10-30 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-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-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-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
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 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 (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 HDAC4 335/4885GPR119 709/4885RAB9A 4168/4885
US-20140323460-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 HDAC4 335/4885GPR119 709/4885RAB9A 4168/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 HDAC4 957/4885GPR119 18/4885RAB9A 1773/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS HDAC4 1466/4885GPR119 68/4885RAB9A 4320/4885
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HDAC4 550/4885GPR119 15/4885RAB9A 2642/4885

“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.