SCHEMBL25855485

SCHEMBL25855485

CC(C)C1CCC(C(=O)N2CCNCC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.72
CHRNA3 P32297 5/20 0.72
CHRNA4 P43681 5/20 0.72
CHRNB3 Q05901 3/20 0.72
CHRNA6 Q15825 3/20 0.72
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA7 P36544 2/20 0.41
KMT2A Q03164 1/20 0.38
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
HSD11B1 P28845 2/20 0.37
LMNA P02545 1/20 0.37
CHKA P35790 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10270228 1.00 CHRNB2 (0.72) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24480742 0.86 CHRNB2 (0.56) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL26494226 0.85 HPGD (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL8314 0.85 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10270122 0.84 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL26203730 0.84 HPGD (0.67) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12303996 0.84 HPGD (0.67) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10119952 0.83 HPGD (0.54) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL1018088 0.83 CHRNB2 (0.95) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Piperazine SCHEMBL28221523 0.83 CHRNB2 (0.95) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
WO-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A CHRNB2 2107/4885CHRNA3 2200/4885CHRNA4 968/4885

“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.