SCHEMBL20877787

SCHEMBL20877787

CNC(=O)CNC(=N)NC(=N)NCNCC[N+](C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
MAPK1 P28482 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL21257621 0.88 CHRM2 (0.30) CHRM2CHRM4CHRM5CYP2D6CHRM1
SCHEMBL13320333 0.81 APOBEC3A (0.33) CHRM2CHRM4CHRM5CYP2D6CHRM1
SCHEMBL22175211 0.73 MCL1 (0.36)
SCHEMBL18748197 0.70
SCHEMBL14177603 0.69 ALDH1A1 (0.36)
SCHEMBL21594697 0.69
SCHEMBL24712901 0.68 CYP2D6 (0.41) CYP2D6
SCHEMBL22300025 0.68
SCHEMBL14342334 0.61
SCHEMBL349773 0.60

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-10251880-B2 Bile acid recycling inhibitors and satiogens for treatment of diabetes, obesity, and inflammatory gastrointestinal conditions SATIOGEN PHARMACEUTICALS, INC. (US) 2019-04-09 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-10251880-B2 Bile acid recycling inhibitors and satiogens for treatment of diabetes, obesity, and inflammatory gastrointestinal conditions SLC10A2, GPR119, GPBAR1 CHRM2 4156/4885CHRM4 3597/4885CHRM5 4270/4885

“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.