SCHEMBL3287129

SCHEMBL3287129

C#CCOc1ccc(C(=O)NC(C)(C#N)C(C)C)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.39
TRPA1 O75762 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
HTR2A P28223 1/20 0.37
KCNQ3 O43525 3/20 0.36
KCNQ2 O43526 3/20 0.36
ANO1 Q5XXA6 1/20 0.35
MDH1 P40925 1/20 0.35
MDH2 P40926 1/20 0.35
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL3286749 0.87 CYP2B6 (0.48) CYP2B6MAOBPDE4BRAB9A
SCHEMBL3285931 0.87 CYP2B6 (0.41) CYP2B6TRPA1TAS1R3TAS1R1AAK1
SCHEMBL3288185 0.86 P2RX3 (0.35) TRPA1ANO1CHRNA1CHRNGCHRNB1
SCHEMBL3286621 0.80 GRM5 (0.47) CYP2B6TRPA1TAS1R3TAS1R1HTR2A
SCHEMBL3285636 0.78 HTT (0.49) CYP2B6HTR2AANO1PDE4BNPC1
SCHEMBL3285899 0.78 TAS1R3 (0.47) CYP2B6TAS1R3TAS1R1HTR2AKCNQ3
SCHEMBL13325344 0.78 TAS1R3 (0.47) CYP2B6TAS1R3TAS1R1HTR2AKCNQ3
SCHEMBL3285897 0.78 KMT2A (0.49) CYP2B6TAS1R3TAS1R1HTR2AKCNQ3
SCHEMBL3286029 0.78 CYP2B6 (0.43) CYP2B6TAS1R3TAS1R1HTR2AKCNQ3
SCHEMBL3288051 0.75 TAS1R3 (0.47) CYP2B6TAS1R3TAS1R1HTR2AKCNQ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714168-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-7714168-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-7714168-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-1940779-B1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO (JP) 2009-07-22 EP disclosed
US-20080319080-A1 Amide Compounds and Their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 US disclosed
US-20080319080-A1 Amide Compounds and Their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 US disclosed
US-20080319080-A1 Amide Compounds and Their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 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-20080319080-A1 Amide Compounds and Their Use NAT1, ACAT2, NAAA CYP2B6 2549/4885TRPA1 3117/4885TAS1R3 1969/4885

“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.