SCHEMBL1819622

SCHEMBL1819622

O=C(NC1CC1)c1ccccc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
GAA P10253 1/20 0.62
DPP4 P27487 4/20 0.60
DPP7 Q9UHL4 4/20 0.60
KCNH2 Q12809 1/20 0.58
PTGES O14684 7/20 0.54
HCRTR1 O43613 1/20 0.53
PPIA P62937 1/20 0.52
TP53 P04637 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
P2RX7 Q99572 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
PTGS1 P23219 1/20 0.51

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
SCHEMBL30681561 1.00 LMNA (0.62) LMNAGAADPP4DPP7KCNH2
SCHEMBL6930440 0.92 LMNA (0.63) LMNAGAAPTGESNPC1RAB9A
SCHEMBL4755705 0.86 DPP4 (0.60) LMNAGAADPP4DPP7KCNH2
SCHEMBL3171014 0.84 CTSS (0.52) LMNAGAADPP4DPP7KCNH2
SCHEMBL1850059 0.84 CRHR1 (0.67) LMNAGAADPP4DPP7KCNH2
SCHEMBL1850057 0.84 CRHR1 (0.67) LMNAGAADPP4DPP7KCNH2
SCHEMBL29860179 0.83 TP53 (0.56) LMNAGAADPP4DPP7KCNH2
SCHEMBL6458046 0.82 CNR2 (0.53) LMNAGAADPP4DPP7KCNH2
SCHEMBL6458054 0.82 CNR2 (0.53) LMNAGAADPP4DPP7KCNH2
SCHEMBL10212118 0.80 DPP4 (0.52) DPP4DPP7KCNH2PTGESTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493844-A2 HALOGENALKYL-SUBSTITUTED AMIDES USED AS INSECTICIDES AND ACARICIDES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
WO-2011054436-A2 HALOGENALKYL-SUBSTITUTED AMIDES USED AS INSECTICIDES AND ACARICIDES BAYER CROPSCIENCE AG (DE) 2011-05-12 WO disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US 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 (1 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 LMNA 4687/4885GAA 1232/4885DPP4 778/4885

“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.