SCHEMBL6972157

SCHEMBL6972157

Cc1ccn(CC(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOS1 P29475 1/20 0.35
CBLB Q13191 1/20 0.35
GFER P55789 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL29300697 0.83 GAA (0.36) GAAL3MBTL1MAPTRAB9ANPC1
SCHEMBL4327114 0.83 HTR2A (0.38) GAANOS1CBLBGFERHTR2A
SCHEMBL18214837 0.83 NOS1 (0.41) GAAL3MBTL1MAPTRAB9ANPC1
SCHEMBL19504430 0.81 GAA (0.41) GAAL3MBTL1MAPTRAB9ANPC1
SCHEMBL8006671 0.79 DRD2 (0.37) GAAL3MBTL1MAPTRAB9ANPC1
SCHEMBL2449768 0.77 APAF1 (0.53) GAAL3MBTL1CBLBGFERAKR1C3
SCHEMBL16077753 0.77 CACNA1G (0.33) ACHETOP2A
SCHEMBL11188692 0.77 KDM4E (0.31) SMN1; SMN2KDM4EALDH1A1ACHETOP2A
SCHEMBL1856731 0.77 ALDH1A1 (0.45) L3MBTL1NOS1ALDH1A1ACHETOP2A
SCHEMBL2669048 0.76 NOS1 (0.39) GAAL3MBTL1MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372528-A1 GLYCOCONJUGATES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2023-11-23 US disclosed
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 US disclosed
WO-2023076219-A2 ANTAGONISTS OF GPR39 PROTEIN VASOCARDEA, INC. (US) 2023-05-04 WO disclosed
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN disclosed
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2021-03-25 US disclosed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
US-9981919-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICAL N.V. (BE) 2018-05-29 US disclosed
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-11-09 US disclosed
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2017-11-02 US disclosed
US-9688669-B2 Oxazolidinones as modulators of mGluR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION JANSSEN-CILAG (FR) 2010-02-11 US disclosed
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-01-21 US disclosed
WO-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection HEERES JAN 2007-01-25 US disclosed
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection HEERES JAN 2007-01-25 US disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP 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 (10 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-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof GYS2, GYS1, PYGL GAA 28/4885L3MBTL1 1532/4885MAPT 370/4885
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS GAA 985/4885L3MBTL1 3415/4885MAPT 3730/4885
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection ADORA2B, CYP1B1, DPYD GAA 4749/4885L3MBTL1 3825/4885MAPT 3887/4885
US-20230372528-A1 GLYCOCONJUGATES CD22, SIGLEC7, CD47 GAA 195/4885L3MBTL1 1555/4885MAPT 2047/4885
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION NOX3, CBR3, CBR1 GAA 4878/4885L3MBTL1 1435/4885MAPT 4688/4885
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 GAA 368/4885L3MBTL1 2978/4885MAPT 3005/4885
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 GAA 4791/4885L3MBTL1 539/4885MAPT 4242/4885
US-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E GAA 1558/4885L3MBTL1 3263/4885MAPT 3171/4885
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, NLRP1 GAA 2634/4885L3MBTL1 3297/4885MAPT 2042/4885
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC GAA 156/4885L3MBTL1 4055/4885MAPT 3047/4885

“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.