SCHEMBL12705356

SCHEMBL12705356

CC(C)(C)OC(=O)Nc1ccc2c(OCCN3CCOCC3)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.52
CD274 Q9NZQ7 1/20 0.51
EPHX2 P34913 4/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
KDR P35968 2/20 0.45
GRM4 Q14833 1/20 0.45

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
SCHEMBL1600161 0.81 BRD4 (0.49) MAPK14CD274EPHX2KDR
SCHEMBL1801810 0.80 CD274 (0.62) MAPK14CD274EPHX2KDR
SCHEMBL4256695 0.79 EPHX2 (0.74) EPHX2
SCHEMBL10130045 0.79 MAPK14 (0.60) MAPK14KDR
SCHEMBL5257397 0.79 MAPK14 (0.65) MAPK14KDR
SCHEMBL6814510 0.77 KDR (0.62) CD274EPHX2HTR2AKDR
SCHEMBL2087287 0.77 SYK (0.51) MAPK14CD274KDR
SCHEMBL20518810 0.77 CD274 (0.49) MAPK14CD274EPHX2HTR2AHTR2C
SCHEMBL5559654 0.76 RXFP1 (0.54) MAPK14CD274CNR1CNR2RXFP1
SCHEMBL14100169 0.76 CD274 (0.55) CD274EPHX2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 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 (3 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-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK14 371/4885CD274 397/4885EPHX2 827/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B MAPK14 696/4885CD274 3648/4885EPHX2 504/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK14 371/4885CD274 397/4885EPHX2 827/4885

“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.