SCHEMBL3153126

SCHEMBL3153126

CC(=O)N1CCCC1N1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 8/20 0.36
CHRM3 P20309 8/20 0.36
CHRM2 P08172 6/20 0.36
CHRM4 P08173 6/20 0.36
CHRM1 P11229 6/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL3153297 0.95 CHRM5 (0.39) CHRM5CHRM3CHRM2CHRM4CHRM1
SCHEMBL30938358 0.84 CHRNB2 (0.37) CHRM5CHRM3CHRNB2CHRNA3CHRNA4
SCHEMBL11490476 0.81 CHRNB2 (0.34) CHRM5CHRM3CHRNB2CHRNA3CHRNA4
SCHEMBL8185974 0.79 HTR6 (0.43) CHRM5CHRM3CHRM2CHRM4CHRM1
SCHEMBL2552216 0.79 HTR6 (0.39) CHRM5CHRM3CHRNB2CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL8186266 0.77 HTR6 (0.42) CHRM5CHRM3CHRNB2CHRNA3CHRNA4
SCHEMBL8776613 0.73 HSD17B10 (0.41) L3MBTL1
Hydrochloric Acid SCHEMBL8776634 0.72 HSD17B10 (0.40) L3MBTL1
SCHEMBL15896435 0.72 CHRNB2 (0.39) CHRM5CHRM3CHRNB2CHRNA3CHRNA4
SCHEMBL14186218 0.71 HRH3 (0.43) CHRM5CHRM3CHRM2CHRM4CHRM1

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
EP-2074083-B1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-06-19 EP disclosed
US-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-03-25 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-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, TRPV1 CHRM5 450/4885CHRM3 386/4885CHRM2 252/4885

“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.