SCHEMBL2840466

SCHEMBL2840466

CC(C)(C)OC(=O)OC(=O)[C@H]1NCC[C@@H]1c1cccc(OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
GRIN1 Q05586 3/20 0.41
MAOB P27338 2/20 0.40
NR4A2 P43354 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
LMNA P02545 1/20 0.38
KDM1A O60341 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
YAP1 P46937 1/20 0.38
F10 P00742 1/20 0.38
POLB P06746 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
SCHEMBL311161 0.89 MAOB (0.44) KCNH2MAOBNR4A2KDM1AYAP1
SCHEMBL841243 0.89 MAOB (0.44) KCNH2MAOBNR4A2KDM1AYAP1
SCHEMBL840905 0.89 MAOB (0.44) KCNH2MAOBNR4A2KDM1AYAP1
SCHEMBL14343907 0.84 KDM1A (0.41) MAOBKDM1A
SCHEMBL6744373 0.77 KLK7 (0.42)
SCHEMBL11306145 0.72 YAP1 (0.55) KCNH2YAP1
SCHEMBL14382273 0.71 PDE4B (0.48) KCNH2GRIN1MAOBNR4A2YAP1
SCHEMBL6396126 0.71 MAOB (0.56) MAOBNR4A2PDK1PDK2PDK3
SCHEMBL2239880 0.70 TACR1 (0.54) KCNH2GRIN1JAK2JAK1YAP1
SCHEMBL840024 0.70 KCNH2 (0.52) KCNH2MAOBNR4A2KDM1A

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
US-7855218-B2 (5R)-5-(4-{[(2-fluorophenyl)methyl]oxy}phenyl)-L-prolinamide; depression or a mood disorder ; modulation of use-dependent voltage-gated sodium channels Convergence Pharmaceuticals Limited (GB) 2010-12-21 US disclosed
EP-1943216-B1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LTD (GB) 2010-06-30 EP disclosed
US-20080306122-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-12-11 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-20080306122-A1 Novel Compounds CYP11B1, CYP11B2, CYP46A1 KCNH2 3313/4885GRIN1 1512/4885MAOB 1619/4885

“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.