SCHEMBL4501555

SCHEMBL4501555

O=C1CCCCN1Cc1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.70
HRH3 Q9Y5N1 1/20 0.64
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.57
RAB9A P51151 1/20 0.53
HTT P42858 1/20 0.51
GRM2 Q14416 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ACACB O00763 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
GRIA2 P42262 1/20 0.47
PER2 O15055 2/20 0.47
CRY2 Q49AN0 1/20 0.47
ACHE P22303 1/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL5578262 0.96 L3MBTL1 (0.65) L3MBTL1HRH3ALDH1A1POLBRAB9A
SCHEMBL28801601 0.89 ALDH1A1 (0.61) L3MBTL1HRH3ALDH1A1POLBRAB9A
SCHEMBL11200681 0.87 L3MBTL1 (0.76) L3MBTL1HRH3KMT2AACACBCYP1A2
SCHEMBL596252 0.84 L3MBTL1 (0.96) L3MBTL1HRH3POLBRAB9AHTT
SCHEMBL4093054 0.83 MCHR1 (0.51) L3MBTL1HRH3ALDH1A1RAB9ACYP2C9
SCHEMBL12947867 0.82 L3MBTL1 (0.70) L3MBTL1HRH3MEN1KMT2AACACB
SCHEMBL16891466 0.82 L3MBTL1 (0.70) L3MBTL1HRH3ALDH1A1POLBKMT2A
SCHEMBL7269112 0.82 L3MBTL1 (1.00) L3MBTL1HRH3ALDH1A1RAB9AMEN1
SCHEMBL2223756 0.82 L3MBTL1 (0.70) L3MBTL1HRH3ALDH1A1KMT2AACACB
SCHEMBL1626076 0.82 L3MBTL1 (1.00) L3MBTL1HRH3ALDH1A1RAB9AMEN1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2018-03-01 US disclosed
US-9663496-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160229838-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME MIDCAP FINANCIAL TRUST 2016-08-11 US disclosed
US-9266856-B2 AMPK—activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-02-23 US disclosed
US-8987303-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2015-03-24 US disclosed
US-8980921-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2015-03-17 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-20140315884-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2014-10-23 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-8791136-B2 Substituted pyridine, pyridazine, pyrazine and pyrimidine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-07-29 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
US-7189726-B2 Benzofuran derivatives as inhibitors of p38-α kinase SCIOS, INC. (US) 2007-03-13 US disclosed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
EP-1725535-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2005086700-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO disclosed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO disclosed
WO-2005087767-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO disclosed
CN-1214047-A Novel aromatic piperazines derived from substituted cyclic azaalkanes, method for the production thereof, pharmaceutical compositions and use thereof as medicaments PF MEDICAMENT (FR) 1999-04-14 CN disclosed
EP-0880512-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1998-12-02 EP disclosed
WO-1997028141-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1997-08-07 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 (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-20160229838-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 L3MBTL1 2998/4885HRH3 4418/4885ALDH1A1 807/4885
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 L3MBTL1 2998/4885HRH3 4418/4885ALDH1A1 807/4885
US-20140315884-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 L3MBTL1 2998/4885HRH3 4418/4885ALDH1A1 807/4885
US-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H L3MBTL1 1395/4885HRH3 31/4885ALDH1A1 1500/4885
US-20140378429-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them CPT2, SHMT2, CS L3MBTL1 4579/4885HRH3 2910/4885ALDH1A1 397/4885

“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.