SCHEMBL3153297

SCHEMBL3153297

CC(=O)N1CCCCC1N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 14/20 0.39
CHRM3 P20309 14/20 0.39
CHRM2 P08172 13/20 0.39
CHRM4 P08173 13/20 0.39
CHRM1 P11229 13/20 0.39
HTR6 P50406 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CA2 P00918 1/20 0.36
CHKA P35790 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 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
SCHEMBL3153126 0.95 CHRM5 (0.36) CHRM5CHRM3CHRM2CHRM4CHRM1
SCHEMBL2552216 0.84 HTR6 (0.39) CHRM5CHRM3HTR6SIGMAR1CA2
SCHEMBL8185974 0.81 HTR6 (0.43) CHRM5CHRM3CHRM2CHRM4CHRM1
SCHEMBL11490476 0.80 CHRNB2 (0.34) CHRM5CHRM3HTR6SIGMAR1CA2
Hydrochloric Acid SCHEMBL8186266 0.79 HTR6 (0.42) CHRM5CHRM3HTR6CA2CHKA
SCHEMBL30938358 0.79 CHRNB2 (0.37) CHRM5CHRM3HTR6SIGMAR1CA2
SCHEMBL8776613 0.79 HSD17B10 (0.41)
Hydrochloric Acid SCHEMBL8776634 0.77 HSD17B10 (0.40)
SCHEMBL30493350 0.72 HTR6 (0.44) HTR6
SCHEMBL15896435 0.71 CHRNB2 (0.39) CHRM5CHRM3SIGMAR1CA2CHKA

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.