SCHEMBL19658448

SCHEMBL19658448

CCN1CCC(CN(C)C(C)=O)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
EGLN1 Q9GZT9 1/20 0.38
CHRM3 P20309 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
EPHX1 P07099 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL14530950 0.90 SMN1; SMN2 (0.46) ACHESMN1; SMN2EPHX1
SCHEMBL12010828 0.83 ACHE (0.42) ACHEHRH3
SCHEMBL19652092 0.83 EGLN1 (0.39) ACHESMN1; SMN2EGLN1CHRM3EPHX1
SCHEMBL23560059 0.80 ACHE (0.42) ACHESMN1; SMN2EPHX1
SCHEMBL10238597 0.78 SMN1; SMN2 (0.34) SMN1; SMN2EGLN1CHRM3HRH3EPHX1
SCHEMBL9477536 0.77 ACHE (0.69) ACHE
SCHEMBL19658593 0.77 ACHE (0.62) ACHESMN1; SMN2
SCHEMBL17888287 0.76 EGLN1 (0.49) ACHEEGLN1HRH3
SCHEMBL5754421 0.76 DPP4 (0.42) SMN1; SMN2EGLN1CHRM3HRH3CHRM2
SCHEMBL14155733 0.76 LTA4H (0.44) SMN1; SMN2HRH3

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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 ACHE 2649/4885SMN1; SMN2 1221/4885EGLN1 3302/4885

“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.