SCHEMBL3286606

SCHEMBL3286606

C#CCOc1ccc(C(=O)N[C@H](C)C(C)(C)C)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.51
TAS1R3 Q7RTX0 7/20 0.46
TAS1R1 Q7RTX1 7/20 0.46
PPARG P37231 1/20 0.45
RAB9A P51151 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
PDE4B Q07343 1/20 0.45
GRM5 P41594 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MAOB P27338 2/20 0.42
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3285889 1.00 CYP2B6 (0.51) CYP2B6TAS1R3TAS1R1PPARGRAB9A
SCHEMBL3286569 1.00 CYP2B6 (0.51) CYP2B6TAS1R3TAS1R1PPARGRAB9A
SCHEMBL2287396 0.92 CYP2B6 (0.50) CYP2B6TAS1R3TAS1R1PPARGRAB9A
SCHEMBL3288790 0.89 CYP2B6 (0.56) CYP2B6TAS1R3TAS1R1PPARGRAB9A
SCHEMBL3286728 0.88 CYP2B6 (0.53) CYP2B6TAS1R3TAS1R1PPARGRAB9A
SCHEMBL13325337 0.88 CYP2B6 (0.53) CYP2B6TAS1R3TAS1R1PPARGRAB9A
SCHEMBL3285666 0.88 CYP2B6 (0.53) CYP2B6TAS1R3TAS1R1PPARGRAB9A
SCHEMBL3286621 0.86 GRM5 (0.47) CYP2B6TAS1R3TAS1R1PDE4BGRM5
SCHEMBL3286570 0.86 MAPK1 (0.49) CYP2B6RAB9AGRM5ALDH1A1MEN1
SCHEMBL3287333 0.85 MAPK1 (0.57) CYP2B6TAS1R3TAS1R1PPARGRAB9A

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 2549/4885TAS1R3 1969/4885TAS1R1 898/4885

“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.