SCHEMBL13325344

SCHEMBL13325344

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.47
TAS1R1 Q7RTX1 5/20 0.47
CYP2B6 P20813 1/20 0.43
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
CYP2C9 P11712 2/20 0.39
MAPK14 Q16539 2/20 0.39
NAMPT P43490 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE4B Q07343 2/20 0.38
HTR2A P28223 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MAOB P27338 1/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 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
SCHEMBL3285899 1.00 TAS1R3 (0.47) TAS1R3TAS1R1CYP2B6KCNQ3KCNQ2
SCHEMBL3288051 0.90 TAS1R3 (0.47) TAS1R3TAS1R1CYP2B6KCNQ3KCNQ2
SCHEMBL3286621 0.88 GRM5 (0.47) TAS1R3TAS1R1CYP2B6KCNQ3KCNQ2
SCHEMBL3285666 0.85 CYP2B6 (0.53) TAS1R3TAS1R1CYP2B6LMNAALDH1A1
SCHEMBL3286728 0.85 CYP2B6 (0.53) TAS1R3TAS1R1CYP2B6LMNAALDH1A1
SCHEMBL13325337 0.85 CYP2B6 (0.53) TAS1R3TAS1R1CYP2B6LMNAALDH1A1
SCHEMBL3288140 0.85 TAS1R3 (0.56) TAS1R3TAS1R1CYP2B6KCNQ3KCNQ2
SCHEMBL4252803 0.84 TAS1R3 (0.44) TAS1R3TAS1R1CYP2B6KCNQ3KCNQ2
SCHEMBL3310916 0.84 TAS1R3 (0.46) TAS1R3TAS1R1CYP2B6KCNQ3KCNQ2
SCHEMBL3306956 0.84 CYP2C9 (0.39) TAS1R3TAS1R1CYP2C9MAPK14MAOB

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 4 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-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 TAS1R3 1969/4885TAS1R1 898/4885CYP2B6 2549/4885

“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.