SCHEMBL648325

SCHEMBL648325

O=C1CCc2cc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
HRH3 Q9Y5N1 6/20 0.45
LIPG Q9Y5X9 2/20 0.42
LIPC P11150 1/20 0.42
MMP13 P45452 2/20 0.41
MMP2 P08253 1/20 0.41
MMP12 P39900 1/20 0.40
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
NOTUM Q6P988 1/20 0.40
TP53 P04637 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
SCHEMBL3965663 0.76 PTGS2 (0.51) MAOBMAOAHRH3
SCHEMBL12441780 0.75 HTR1A (0.47) LIPGMMP13MMP2FPR2PROKR1
SCHEMBL5541736 0.75 DEGS1 (0.48) LIPGLIPCMMP13MMP2FPR2
SCHEMBL2091975 0.75 TEAD1 (0.47) HRH3LIPGLIPCMMP13MMP2
SCHEMBL13279685 0.75 DEGS1 (0.48) LIPGLIPCMMP13MMP2FPR2
SCHEMBL28818529 0.75 TEAD1 (0.44) HRH3LIPGLIPCMMP13MMP2
SCHEMBL4813615 0.75 MAPK14 (0.52) MAOBHRH3
SCHEMBL2096729 0.74 TEAD1 (0.45) LIPGLIPCMMP13MMP2MMP12
SCHEMBL20346998 0.72 MAOB (0.48) MAOBHRH3LIPGLIPCMMP13
SCHEMBL20346997 0.72 HRH3 (0.57) HRH3TP53

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 MAOB 3141/4885MAOA 1999/4885HRH3 3485/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 MAOB 3141/4885MAOA 1999/4885HRH3 3485/4885
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 MAOB 2236/4885MAOA 1600/4885HRH3 1885/4885

“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.