SCHEMBL650728

SCHEMBL650728

O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2cc(O)ccc2o1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.76
MAOB P27338 2/20 0.66
KCNH2 Q12809 1/20 0.61
MCHR1 Q99705 1/20 0.61
SIGMAR1 Q99720 2/20 0.58
MAOA P21397 1/20 0.58
DRD4 P21917 1/20 0.57
SLC6A12 P48065 1/20 0.57
SLC6A13 Q9NSD5 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
ALOX5 P09917 1/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL9727131 0.89 MAOB (0.74) ACHEMAOBKCNH2MCHR1DRD4
SCHEMBL9727166 0.88 ACHE (0.66) ACHEMAOBKCNH2MCHR1SIGMAR1
SCHEMBL4449531 0.83 ACHE (0.58) ACHEMAOBKCNH2MCHR1SIGMAR1
SCHEMBL30285967 0.83 RAB9A (0.65) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9727117 0.82 DRD4 (0.67) ACHEMAOBKCNH2MCHR1SIGMAR1
SCHEMBL62398 0.81 DRD4 (0.85) MCHR1DRD4SLC6A12SLC6A13
SCHEMBL647657 0.81 ACHE (0.59) ACHEMAOBKCNH2MCHR1SIGMAR1
SCHEMBL16927793 0.81 MAOB (0.63) ACHEMAOBKCNH2MCHR1SIGMAR1
SCHEMBL14096071 0.80 NPC1 (0.64) ACHEMAOBKCNH2MCHR1SIGMAR1
SCHEMBL647688 0.80 OPRK1 (0.58) ACHEMAOBKCNH2MCHR1DRD4

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 9 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
EP-2231600-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP disclosed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
WO-2009065131-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-22 WO 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 ACHE 1963/4885MAOB 3141/4885KCNH2 3860/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 ACHE 1963/4885MAOB 3141/4885KCNH2 3860/4885
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 ACHE 1502/4885MAOB 2236/4885KCNH2 3247/4885

“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.