SCHEMBL3668028

SCHEMBL3668028

c1ccc2c(c1)CCCC2[C]1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.54
ADRA1A P35348 2/20 0.54
CYP2D6 P10635 2/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1B P35368 1/20 0.54
HTR1A P08908 1/20 0.54
OPRM1 P35372 1/20 0.54
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
IDO1 P14902 2/20 0.52
GID4 Q8IVV7 1/20 0.51
HAO1 Q9UJM8 1/20 0.46
MAPK1 P28482 1/20 0.44
MAPK14 Q16539 1/20 0.44
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL14247675 0.83 ADRA1A (0.49) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL28806293 0.83 ADRA1A (0.49) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL29842306 0.82 GID4 (0.62) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL395087 0.82 GID4 (0.62) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL29100087 0.81 GID4 (0.50) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL4204524 0.80 ADRA1A (0.59) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL11696770 0.79 IDO1 (0.51) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL10501682 0.79 ADRA2A (0.50) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL10359793 0.79 GID4 (0.51) ADRA2AADRA1ACYP2D6ADRA1DADRA1B
SCHEMBL3955741 0.77 ADRA1A (0.65) ADRA2AADRA1ACYP2D6ADRA1DADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598483-B1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS INC (US) 2020-07-29 EP disclosed
EP-2079694-B1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS INC (US) 2017-03-01 EP disclosed
EP-2391616-B1 CARBOXAMIDE COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS INC (US) 2016-03-30 EP disclosed
EP-2231666-B1 Carboxamide, sulfonamide and amine compounds for metabolic disorders RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP disclosed
EP-2231600-B1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP disclosed
WO-2015048547-A2 METHODS FOR USING AND BIOMARKERS FOR AMPK-ACTIVATING COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2015-04-02 WO disclosed
US-8980921-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-8809370-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-20130267702-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME MIDCAP FINANCIAL TRUST 2013-10-10 US disclosed
US-20130203987-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
EP-2391616-A1 CARBOXAMIDE COMPOUNDS AND METHODS FOR USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
EP-2231666-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP disclosed
EP-2231600-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP disclosed
WO-2010088392-A1 CARBOXAMIDE COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2010-08-05 WO disclosed
EP-2079694-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE Rigel Pharmaceuticals, Inc. (US) 2009-07-22 EP disclosed
WO-2009076631-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
WO-2009065131-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-22 WO disclosed
WO-2008083124-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 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 (2 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-20130203987-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 ADRA2A 792/4885ADRA1A 872/4885CYP2D6 2127/4885
US-20130267702-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 ADRA2A 792/4885ADRA1A 872/4885CYP2D6 2127/4885

“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.