SCHEMBL6990551

SCHEMBL6990551

COCn1cc(C)c(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
LRRK2 Q5S007 1/20 0.32
CCR1 P32246 1/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KLKB1 P03952 4/20 0.31
NPC1 O15118 1/20 0.30
PKM P14618 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
SCHEMBL15473395 0.83 LRRK2 (0.45) GAALRRK2TP53L3MBTL1
SCHEMBL6989663 0.79 LRRK2 (0.36) GAALRRK2L3MBTL1KLKB1NPC1
SCHEMBL14996622 0.78 GAA (0.31) GAA
SCHEMBL31741753 0.78 DGAT1 (0.42) GAAKLKB1
SCHEMBL28740668 0.77 GAA (0.44) GAAKLKB1NPC1PKM
SCHEMBL12126144 0.77 L3MBTL1 (0.33) L3MBTL1
SCHEMBL23174789 0.76 LMNA (0.43) GAACCR1NPC1PKM
SCHEMBL12121226 0.75 P2RX7 (0.40) GAALRRK2
SCHEMBL15684076 0.74 GAA (0.32) GAA
SCHEMBL29796452 0.74 GAA (0.32) GAAKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7994093-B2 Heterocyclocarboxamide derivatives SYNGENTA CROP PROTECTION, INC. (US) 2011-08-09 US disclosed
EP-1940813-B1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-11-24 EP disclosed
US-20100204482-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-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-2007124907-A2 HETEROCYCLYL-CARBOXYLIC ACID (BENZONORBORNENE-5-YL)AMIDE DERIVATIVES AS FUNGICIDES FOR AGROCHEMICAL USE SYNGENTA PARTICIPATIONS AG (CH) 2007-11-08 WO 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 (4 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 GAA 3577/4885LRRK2 2808/4885CCR1 743/4885
US-20100204482-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES CBR3, CBR1, CYP8B1 GAA 3293/4885LRRK2 4380/4885CCR1 203/4885
US-20080051446-A1 Heterocyclocarboxamide Derivatives CBR3, CBR1, NOX1 GAA 3577/4885LRRK2 2808/4885CCR1 743/4885
US-20080227835-A1 Heterocyclic Amide Derivatives Useful as Microbiocides CBR3, CBR1, CYP8B1 GAA 3373/4885LRRK2 4185/4885CCR1 220/4885

“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.