SCHEMBL648348

SCHEMBL648348

CC(C)(C)OC(=O)NC1CCN(Cc2ccncc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.60
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
KCNA3 P22001 1/20 0.52
AKT1 P31749 1/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PARP1 P09874 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
MEN1 O00255 1/20 0.49
KDM4D Q6B0I6 2/20 0.48
DRD2 P14416 3/20 0.47
NSD2 O96028 1/20 0.47

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
SCHEMBL13003264 0.92 SIGMAR1 (0.52) SIGMAR1
SCHEMBL915402 0.88 KMT2A (0.65) SIGMAR1KCNA3KMT2AL3MBTL1MEN1
SCHEMBL15021069 0.86 SIGMAR1 (0.59) SIGMAR1KCNA3AKT1KMT2AL3MBTL1
SCHEMBL27226915 0.86 SIGMAR1 (0.59) SIGMAR1CHRM2CHRM1CHRM3KCNA3
SCHEMBL29260128 0.86 KCNA3 (0.53) SIGMAR1KCNA3AKT1KMT2AL3MBTL1
SCHEMBL22719510 0.86 TEAD1 (0.65) SIGMAR1KCNA3KMT2APARP1PARP2
SCHEMBL15021685 0.85 SIGMAR1 (0.60) SIGMAR1KCNA3AKT1KMT2AL3MBTL1
SCHEMBL30135707 0.85 KCNA3 (0.52) SIGMAR1KCNA3AKT1KMT2AL3MBTL1
SCHEMBL3351581 0.85 SIGMAR1 (0.60) SIGMAR1CHRM1KCNA3PARP1PARP2
SCHEMBL7475783 0.84 SIGMAR1 (0.65) SIGMAR1KCNA3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2231600-B1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP 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-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 (3 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-20140051673-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 SIGMAR1 2488/4885CHRM2 1079/4885CHRM1 1412/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 SIGMAR1 2488/4885CHRM2 1079/4885CHRM1 1412/4885
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 SIGMAR1 1153/4885CHRM2 531/4885CHRM1 763/4885

“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.