Decarboxylated Derivative

Decarboxylated Derivative

SCHEMBL5183307

C1CCCCC1.NCC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.54
SIGMAR1 Q99720 1/20 0.48
NCF1 P14598 1/20 0.46
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
LMNA P02545 1/20 0.42
EPHX1 P07099 1/20 0.41
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CHRM5 P08912 2/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL15444322 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL18102722 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL19992007 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL131302 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL14417464 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL13893972 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL3536114 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
Decarboxylated Derivative SCHEMBL9465 1.00
SCHEMBL19099823 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL22078896 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613597-B1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2007-11-07 EP disclosed
US-20070208172-A1 Process for Preparing Cephalosporin Intermediates Using Alpha-Iodo-1-Azetidineacetic Acid Esters and Trialkylphosphites PFIZER INC. 2007-09-06 US disclosed
EP-1725568-A1 PROCESS FOR PREPARING CEPHALOSPORIN INTERMEDIATES USING ALPHA-IOD O-1-AZETIDINEACETIC ACID ESTERS AND TRIALKYLPHOSPHITES Pfizer Products Inc. (US) 2006-11-29 EP disclosed
WO-2005092900-A1 PROCESS FOR PREPARING CEPHALOSPORIN INTERMEDIATES USING α-IODO-1-AZETIDINEACETIC ACID ESTERS AND TRIALKYLPHOSPHITES PFIZER PRODUCTS INC. (US) 2005-10-06 WO disclosed
US-4163025-A Process for the production of benzylamine and dibenzylamine MILES LABORATORIES, INC. (US) 1979-07-31 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-20070208172-A1 Process for Preparing Cephalosporin Intermediates Using Alpha-Iodo-1-Azetidineacetic Acid Esters and Trialkylphosphites NISCH, ABL1, PTMA CYP2D6 129/4885SIGMAR1 421/4885NCF1 193/4885

“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.