Decarboxylated Derivative

Decarboxylated Derivative

SCHEMBL7091208

NCC1CCCCC1.O=c1ccc1=O

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
DAO P14920 3/20 0.39
CEL P19835 4/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
EPHX1 P07099 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
LMNA P02545 1/20 0.35
NFE2L2 Q16236 1/20 0.35
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL19992007 0.80 CYP2D6 (0.54) CYP2D6CHRM2CHRM1EPHX1SIGMAR1
SCHEMBL15444322 0.80 CYP2D6 (0.54) CYP2D6CHRM2CHRM1EPHX1SIGMAR1
Decarboxylated Derivative SCHEMBL5183307 0.80 CYP2D6 (0.54) CYP2D6CHRM2CHRM1EPHX1SIGMAR1
SCHEMBL13893972 0.80 CYP2D6 (0.54) CYP2D6CHRM2CHRM1EPHX1SIGMAR1
SCHEMBL14417464 0.80 CYP2D6 (0.54) CYP2D6CHRM2CHRM1EPHX1SIGMAR1
SCHEMBL19099823 0.80 CYP2D6 (0.54) CYP2D6CHRM2CHRM1EPHX1SIGMAR1
SCHEMBL3536114 0.80 CYP2D6 (0.54) CYP2D6CHRM2CHRM1EPHX1SIGMAR1
Decarboxylated Derivative SCHEMBL9465 0.80
SCHEMBL22078896 0.80 CYP2D6 (0.54) CYP2D6CHRM2CHRM1EPHX1SIGMAR1
SCHEMBL18102722 0.80 CYP2D6 (0.54) CYP2D6CHRM2CHRM1EPHX1SIGMAR1

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-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 US disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO 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 (2 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-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 CYP2D6 569/4885DAO 449/4885CEL 4108/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 CYP2D6 569/4885DAO 449/4885CEL 4108/4885

“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.