SCHEMBL74113

SCHEMBL74113

FC(F)(F)Oc1ccc(/C=C/CCl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.48
GRIK2 Q13002 1/20 0.48
CYP2D6 P10635 1/20 0.42
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
MAOB P27338 1/20 0.38
AOC3 Q16853 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
BACE1 P56817 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL74114 1.00 GRIK1 (0.48) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL13790221 0.82 CYP2D6 (0.50) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL256705 0.81 GRIK1 (0.48) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL2092948 0.81 GRIK1 (0.51) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL4078920 0.81 GRIK1 (0.51) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL4078921 0.81 GRIK1 (0.51) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL2092951 0.81 GRIK1 (0.51) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL2097572 0.80 GRIK1 (0.50) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL2091011 0.80 GRIK1 (0.50) GRIK1GRIK2CYP2D6PIM1PIM2
SCHEMBL8705946 0.80 PIM1 (0.44) PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045422-B2 Piperidine derivatives with pesticidal properties SYNGENTA PARTICIPATIONS AG (CH) 2015-06-02 US disclosed
US-20130310399-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-21 US disclosed
US-8546569-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-10-01 US disclosed
CN-103214460-A Chemical compounds SYNGENTA PARTICIPATIONS AG 2013-07-24 CN disclosed
EP-1763302-B1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-03-06 EP disclosed
US-20120270885-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-10-25 US disclosed
US-8129534-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
US-20090042938-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2009-02-12 US disclosed
EP-1763302-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2007-03-21 EP disclosed
WO-2006003494-A2 PIPERIDINE DERIVATIVES AND THEIR USE AS INSECTICIDES, ACARICIDES, MOLLUSCICIDES OR NEMATICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-01-12 WO disclosed
CN-1151138-C Triazole antifungal agent ������������ʽ���� 2004-05-26 CN disclosed
CN-1187191-A Triazole antifungal agents SANKYO CO (JP) 1998-07-08 CN 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 (3 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-20120270885-A1 CHEMICAL COMPOUNDS H1-0, CHRM1, MRM1 GRIK1 3856/4885GRIK2 4416/4885CYP2D6 1334/4885
US-20090042938-A1 Chemical Compounds CHRM1, MRM1, H1-0 GRIK1 3721/4885GRIK2 4301/4885CYP2D6 1310/4885
US-20130310399-A1 CHEMICAL COMPOUNDS ACHE, CHRM1, CHRM2 GRIK1 3571/4885GRIK2 4410/4885CYP2D6 1391/4885

“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.