SCHEMBL6989663

SCHEMBL6989663

CCn1cc(C)c(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.36
CYP1A2 P05177 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RECQL P46063 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
COMT P21964 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL14996622 0.82 GAA (0.31) LMNAGAA
SCHEMBL12926057 0.82 HTT (0.37) HTTSMN1; SMN2ALDH1A1L3MBTL1RECQL
SCHEMBL6990551 0.79 GAA (0.38) LRRK2L3MBTL1GAANPC1KLKB1
SCHEMBL12121226 0.79 P2RX7 (0.40) LRRK2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL24240629 0.78 L3MBTL1 (0.40) LRRK2CYP1A2HTTALDH1A1L3MBTL1
SCHEMBL17066899 0.78 NPC1 (0.44) LRRK2CYP1A2HTTSMN1; SMN2ALDH1A1
SCHEMBL21281610 0.78 HTT (0.35) LRRK2CYP1A2HTTSMN1; SMN2ALDH1A1
SCHEMBL8322882 0.78 RECQL (0.35) LRRK2CYP1A2HTTSMN1; SMN2ALDH1A1
SCHEMBL24013536 0.78 LRRK2 (0.33) LRRK2CYP1A2HTTSMN1; SMN2ALDH1A1
SCHEMBL15684076 0.78 GAA (0.32) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218688-A1 PYRIDYLPYRIDONE COMPOUNDS SPRINT BIOSCIENCE AB (SE) 2022-07-14 US disclosed
EP-3672941-B1 PYRIDYLPYRIDONE COMPOUNDS SPRINT BIOSCIENCE AB (SE) 2022-02-09 EP disclosed
US-20210361774-A1 DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-25 US disclosed
WO-2020247679-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY (US) 2020-12-10 WO disclosed
WO-2019038387-A1 PYRIDYLPYRIDONE COMPOUNDS SPRINT BIOSCIENCE AB (SE) 2019-02-28 WO disclosed
WO-2015089131-A1 ALKYLPYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2015-06-18 WO disclosed
US-8207207-B2 Heterocyclic a amide derivatives useful as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2012-06-26 US disclosed
US-8183416-B2 Heterocyclic amide derivatives useful as microbiocides SYNGENTA CROP PROTECTION, INC. (US) 2012-05-22 US disclosed
US-7994093-B2 Heterocyclocarboxamide derivatives SYNGENTA CROP PROTECTION, INC. (US) 2011-08-09 US disclosed
US-20100204482-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-08-12 US disclosed
US-20100204287-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-08-12 US disclosed
US-7732469-B2 for controlling or preventing infestation of plants by phytopathogenic microorganisms, preferably fungi SYNGENTA CROP PROTECTION, INC. (US) 2010-06-08 US disclosed
US-20100010063-A1 HETEROCYCLOCARBOXAMIDE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-14 US disclosed
US-7598395-B2 Tricyclic amine derivatives such as 3-Difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid (9-isopropyl-1,2,3,4-tetrahydro-1,4-methano-naphthalen-5-yl)-amide; fungicides; horticulture SYNGENTA CROP PROTECTION, INC. (US) 2009-10-06 US disclosed
US-20080227835-A1 Heterocyclic Amide Derivatives Useful as Microbiocides SYNGENTA CROP PROTECTION, INC. (US) 2008-09-18 US disclosed
US-20080051446-A1 Heterocyclocarboxamide Derivatives SYNGENTA CROP PROTECTION, INC. 2008-02-28 US disclosed
WO-2007048556-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-05-03 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 (7 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-20100010063-A1 HETEROCYCLOCARBOXAMIDE DERIVATIVES CBR3, CBR1, NOX1 LRRK2 2808/4885CYP1A2 116/4885HTT 1728/4885
US-20100204482-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES CBR3, CBR1, CYP8B1 LRRK2 4380/4885CYP1A2 133/4885HTT 1861/4885
US-20210361774-A1 DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 LRRK2, CLK2, DDRGK1 LRRK2 1/4885CYP1A2 2552/4885HTT 408/4885
US-20080051446-A1 Heterocyclocarboxamide Derivatives CBR3, CBR1, NOX1 LRRK2 2808/4885CYP1A2 116/4885HTT 1728/4885
US-20100204287-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES CBR3, CBR1, CYP8B1 LRRK2 4302/4885CYP1A2 177/4885HTT 1625/4885
US-20220218688-A1 PYRIDYLPYRIDONE COMPOUNDS PDXK, PLPBP, PNPO LRRK2 895/4885CYP1A2 354/4885HTT 2126/4885
US-20080227835-A1 Heterocyclic Amide Derivatives Useful as Microbiocides CBR3, CBR1, CYP8B1 LRRK2 4185/4885CYP1A2 130/4885HTT 2362/4885

“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.