SCHEMBL5073643

SCHEMBL5073643

COc1ccccc1[C@@](O)(CN1CC[N+](C)(C)CC1)C1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.67
CHRM1 P11229 6/20 0.67
KCNH2 Q12809 4/20 0.67
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CHRM3 P20309 6/20 0.39
CYP2D6 P10635 4/20 0.39
CHRM4 P08173 3/20 0.39
CHRM5 P08912 3/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
HRH1 P35367 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 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
SCHEMBL15308221 0.86 CHRM2 (0.48) CHRM2CHRM1KCNH2MEN1KMT2A
Hexocyclium SCHEMBL934371 0.81 CHRM2 (1.00) CHRM2CHRM1KCNH2MEN1KMT2A
Hexocyclium SCHEMBL25730 0.77 CHRM2 (0.81) CHRM2CHRM1KCNH2MEN1KMT2A
Hexocyclium SCHEMBL4323226 0.77 CHRM2 (0.81) CHRM2CHRM1KCNH2MEN1KMT2A
Hexocyclium SCHEMBL10747435 0.75 CHRM2 (0.76) CHRM2CHRM1KCNH2MEN1KMT2A
SCHEMBL5166775 0.73 CHRM2 (0.74) CHRM2CHRM1KCNH2MEN1KMT2A
SCHEMBL9660473 0.71 CHRM2 (0.81) CHRM2CHRM1KCNH2MEN1KMT2A
Hexocyclium SCHEMBL6665502 0.70 CHRM2 (0.67) CHRM2CHRM1KCNH2MEN1KMT2A
Poldine SCHEMBL28086707 0.68 CHRM2 (0.67) CHRM2CHRM1KCNH2CHRM3CYP2D6
SCHEMBL11879574 0.65 CHRM2 (0.72) CHRM2CHRM1KCNH2MEN1KMT2A

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-20130267506-A1 THERAPEUTIC COMPOSITIONS FOR DIABETIC SYMMETRICAL POLYNEUROPATHY UNIVERSITY OF MANITOBA (CA) 2013-10-10 US disclosed
WO-2012055018-A1 THERAPEUTIC COMPOSITIONS FOR DIABETIC SYMMETRICAL POLYNEUROPATHY UNIVERSITY OF MANITOBA (CA) 2012-05-03 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 (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-20130267506-A1 THERAPEUTIC COMPOSITIONS FOR DIABETIC SYMMETRICAL POLYNEUROPATHY CHRNA5, CHRM2, GAP43 CHRM2 2/4885CHRM1 18/4885KCNH2 57/4885

“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.