SCHEMBL12450880

SCHEMBL12450880

O=C1CCC(=O)N2CCCCN12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.39
CHRM4 P08173 4/20 0.39
CHRM5 P08912 4/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 4/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
PIK3CD O00329 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KMT2A Q03164 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
SCHEMBL14559892 0.93 BRD4 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12443428 0.90 BRD4 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1440028 0.90 BRD4 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11382367 0.88 BRD4 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2363506 0.88 BRD4 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL600282 0.87 BRD4 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3053956 0.85 BRD4 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20377259 0.83 HRH3 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11560817 0.81 BRD4 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2514082 0.80 BRD4 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3

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
WO-2025065089-A1 METHOD OF SYNTHESIZING A 1,6-DIAZABICYCLO[4.4.4]TETRADECAN-1,6-IUM CATIONIC STRUCTURE, USE OF SAID CATIONIC STRUCTURE IN ELECTROCHEMICAL APPLICATIONS, AND POLYMERS COMPRISING SAID CATIONIC STRUCTURE SIMON FRASER UNIVERSITY (CA) 2025-04-03 WO disclosed
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 CHRM2 4499/4885CHRM4 4722/4885CHRM5 4440/4885

“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.