SCHEMBL20312933

SCHEMBL20312933

CN(C)C(=O)COSC(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
SLC6A3 Q01959 2/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TACR1 P25103 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL12550455 0.78 SMN1; SMN2 (0.47) SMN1; SMN2SLC6A3CYP2D6SLC6A4LMNA
SCHEMBL12860871 0.75 SLC6A3 (0.41) SLC6A3CYP2D6SLC6A4POLBTDP1
SCHEMBL27534985 0.73 TACR1 (0.55) CYP2D6POLBCHRNB2CHRNB4CHRNA3
SCHEMBL23875683 0.70 LTB4R (0.52) POLBGAA
SCHEMBL30530341 0.70 AOC3 (0.52) LMNAGAA
Benzoic Acid Dimethylcarbamoylmethyl Ester SCHEMBL9651513 0.69 NPC1 (0.56) SMN1; SMN2SLC6A3SLC6A2TDP1LMNA
SCHEMBL15793307 0.69 GAA (0.41) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4055535 0.68 ALDH1A1 (0.49) SMN1; SMN2SLC6A3CYP2D6TDP1LMNA
SCHEMBL3632818 0.68 SMN1; SMN2 (0.86) SMN1; SMN2POLB
SCHEMBL8897325 0.68 GABBR2 (0.44) SMN1; SMN2CYP2D6CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180177748-A1 COMBINATION MEDICATION FOR NEURO-DEGENERATIVE DISEASES FECHTER CARY ERWIN (US) 2018-06-28 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-20180177748-A1 COMBINATION MEDICATION FOR NEURO-DEGENERATIVE DISEASES SLC18A2, SLC6A4, SLC6A2 SMN1; SMN2 77/4885SLC6A3 5/4885CYP2D6 1278/4885

“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.