SCHEMBL4960926

SCHEMBL4960926

C=CCN(CC=C)C(=O)[N+](CC=C)CC=C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.32
DPP4 P27487 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL13786 0.69 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBDPP4KDM4E
SCHEMBL569156 0.69 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBDPP4KDM4E
SCHEMBL88005 0.67 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBDPP4KDM4E
SCHEMBL3258454 0.67 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBDPP4KDM4E
SCHEMBL88004 0.67 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBDPP4KDM4E
SCHEMBL2343049 0.67 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBDPP4KDM4E
SCHEMBL277229 0.67 ALDH1A1 (0.38) ALDH1A1
SCHEMBL692534 0.65 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBDPP4LMNA
SCHEMBL8985064 0.65 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBDPP4KDM4E
SCHEMBL8845450 0.65 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBDPP4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands NEUROSEARCH A/S 2008-09-18 US claimed
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands NEUROSEARCH A/S 2008-09-18 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-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands CHRNA6, CHRNA10, CHRNA2 ALDH1A1 1094/4885SMN1; SMN2 364/4885POLB 3892/4885

“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.