SCHEMBL772173

SCHEMBL772173

[CH2]CN1CCCC(CCN(C)C(C)=O)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
DPP4 P27487 1/20 0.36
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
BCHE P06276 3/20 0.36
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL2202553 1.00 ACHE (0.46) ACHECHRM2CHRM4CHRM5CHRM1
SCHEMBL771872 0.87 ACHE (0.35) ACHEBCHEALDH1A1KMT2AMEN1
SCHEMBL771696 0.82 ACHE (0.36) ACHEBCHEKMT2AMEN1
SCHEMBL771718 0.82 SIGMAR1 (0.37) CHRM5KMT2AMEN1
SCHEMBL771838 0.78 DPP4 (0.40) ACHEDPP4BCHEALDH1A1KMT2A
SCHEMBL772161 0.78 DPP4 (0.38) ACHEDPP4BCHEALDH1A1KMT2A
SCHEMBL771338 0.73 LSS (0.33) CHRM5
SCHEMBL772733 0.73 CYP2D6 (0.36) ACHECHRM5HRH3
SCHEMBL19658593 0.71 ACHE (0.62) ACHE
SCHEMBL2204349 0.70 LTA4H (0.43) ACHEDPP4BCHE

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ACHE 3981/4885CHRM2 4885/4885CHRM4 4878/4885

“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.