SCHEMBL27437381

SCHEMBL27437381

CC(C)N1CCOC(CC(C)(C)NC2CCN(C)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
CCR2 P41597 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 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
SCHEMBL23639028 0.76 HRH3 (0.40) HRH3CCR2KCNH2
SCHEMBL24498748 0.76 HRH3 (0.49) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL22016512 0.71 HRH3 (0.48) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL23102841 0.69 HRH3 (0.46) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL23103966 0.69 HRH3 (0.46) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL23107070 0.69 HRH3 (0.46) HRH3CCR2KCNH2CHRM2HTR1A
SCHEMBL23114664 0.68 CHRM2 (0.34) HRH3CHRM2HTR1ADRD3HTR2B
SCHEMBL23107140 0.68 CHRM2 (0.34) HRH3CHRM2HTR1ADRD3HTR2B
SCHEMBL23103974 0.68 CHRM2 (0.34) HRH3CHRM2HTR1ADRD3HTR2B
SCHEMBL21157892 0.68 HRH3 (0.45) HRH3CCR2KCNH2CHRM2HTR1A

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-12030867-B2 Hsp90β selective inhibitors UNIVERSITY OF NOTRE DAME DU LAC (US) 2024-07-09 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-12030867-B2 Hsp90β selective inhibitors HSP90AB1, HSP90B1, HSP90AB2P HRH3 4270/4885CCR2 3854/4885KCNH2 4447/4885

“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.